Hydrochloric Acid

Hydrochloric Acid

SCHEMBL310573

Cl.NC(=O)C(N)CCC(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D known ✓ O15399 1/20 0.30
GRIN3B known ✓ O60391 1/20 0.30
GRIN1 known ✓ Q05586 1/20 0.30
GRIN2A known ✓ Q12879 1/20 0.30
GRIN2B known ✓ Q13224 1/20 0.30
GRIN2C known ✓ Q14957 1/20 0.30
GRIN3A known ✓ Q8TCU5 1/20 0.30
NOS2 P35228 7/20 0.43
NOS3 P29474 4/20 0.43
NOS1 P29475 4/20 0.43
KIF11 P52732 3/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL310572 1.00 NOS2 (0.43) NOS2NOS3NOS1KIF11BLM
Hydrochloric Acid SCHEMBL29609101 1.00 NOS2 (0.43) NOS2NOS3NOS1KIF11BLM
SCHEMBL1642298 0.98 NOS2 (0.42) NOS2NOS3NOS1KIF11BLM
SCHEMBL1876375 0.98 NOS2 (0.42) NOS2NOS3NOS1KIF11BLM
SCHEMBL24108958 0.98 NOS2 (0.42) NOS2NOS3NOS1KIF11BLM
Hydrochloric Acid SCHEMBL15240323 0.81 NOS2 (0.56) NOS2NOS3NOS1KIF11BLM
SCHEMBL310317 0.78 NOS2 (0.55) NOS2NOS3NOS1KIF11BLM
SCHEMBL310316 0.78 NOS2 (0.55) NOS2NOS3NOS1KIF11BLM
Hydrochloric Acid SCHEMBL17559675 0.78 NOS2 (0.33) NOS2NOS3NOS1BLMPMP22
SCHEMBL2888856 0.78 NOS2 (0.55) NOS2NOS3NOS1KIF11BLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408757-B1 A NOVEL ALPHA-(N-SULFONAMIDO) ACETAMIDE COMPOUND INCORPORATING DEUTERIUM AS INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2014-06-25 EP disclosed
EP-2408450-B1 ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-03-13 EP disclosed
US-8350084-B2 Alpha-(N-sulfonamido)acetamide compound as an inhibitor of beta amyloid peptide production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
CN-101910141-B Alpha- (N-sulfonamido) acetamide compounds as inhibitors of beta amyloid peptide production BRISTOL MYERS SQUIBB CO 2012-12-19 CN disclosed
CN-102718689-A Novel alpha-(N-sulfonamido)acetamide compound as an inhibitor of beta amyloid peptide production BRISTOL MYERS SQUIBB CO 2012-10-10 CN disclosed
EP-2295417-B1 Novel intermediates useful for preparing alpha-(n-sulfonamido)acetamide compound BRISTOL MYERS SQUIBB CO (US) 2012-07-04 EP disclosed
EP-2471769-A1 Process for preparing a benzonitrile derivative Bristol-Myers Squibb Company (US) 2012-07-04 EP disclosed
US-20120088925-A1 Novel Alpha-(N-Sulfonamido)Acetamide Compound as an Inhibitor of Beta Amyloid Peptide Production BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 US disclosed
CN-102361862-A Thiophenyl sulfonamides for the treatment of alzheimer's disease BRISTOL MYERS SQUIBB CO 2012-02-22 CN disclosed
CN-102356071-A Novel deuterium-doped alpha- (N-sulfonamido) acetamide compounds as inhibitors of beta-amyloid peptide production BRISTOL MYERS SQUIBB CO 2012-02-15 CN disclosed
EP-2295417-A1 Novel intermediates useful for preparing alpha-(n-sulfonamido)acetamide compound Bristol-Myers Squibb Company (US) 2011-03-16 EP disclosed
CN-101910141-A Novel alpha- (N-sulfonamido) acetamide compounds as inhibitors of beta amyloid peptide production BRISTOL MYERS SQUIBB CO 2010-12-08 CN disclosed
US-20100240719-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUNDS INCORPORATING DEUTERIUM AS INHIBITORS OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2010-09-23 US disclosed
WO-2010107435-A1 A NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-23 WO disclosed
WO-2010107984-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUNDS INCORPORATING DEUTERIUM AS INHIBITORS OF BETA AMYLOID PEPTIDE PRODUCTION A NOVEL ALPHA-(N-SULFONAMIDO) ACETAMIDE COMPOUND INCORPORATING DEUTERIUM AS INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-23 WO disclosed
WO-2010107997-A1 THIOPHENYL SULFONAMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-23 WO disclosed
EP-2205575-A1 A NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION Bristol-Myers Squibb Company (US) 2010-07-14 EP disclosed
US-20090227642-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 US disclosed
WO-2009058552-A1 A NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-07 WO disclosed
US-20090111858-A1 Novel Alpha-(N-Sulfonamido)Acetamide Compound as an Inhibitor of Beta Amyloid Peptide Production BRISTOL-MYERS SQUIBB COMPANY 2009-04-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090111858-A1 Novel Alpha-(N-Sulfonamido)Acetamide Compound as an Inhibitor of Beta Amyloid Peptide Production APP, BACE1, IAPP GRIN2D 1862/4885GRIN3B 2220/4885GRIN1 1558/4885
US-20100240719-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUNDS INCORPORATING DEUTERIUM AS INHIBITORS OF BETA AMYLOID PEPTIDE PRODUCTION APP, BACE1, PSEN1 GRIN2D 3315/4885GRIN3B 3670/4885GRIN1 2563/4885
US-20120088925-A1 Novel Alpha-(N-Sulfonamido)Acetamide Compound as an Inhibitor of Beta Amyloid Peptide Production APP, BACE1, IAPP GRIN2D 1862/4885GRIN3B 2220/4885GRIN1 1558/4885
US-20090227642-A1 NOVEL ALPHA-(N-SULFONAMIDO)ACETAMIDE COMPOUND AS AN INHIBITOR OF BETA AMYLOID PEPTIDE PRODUCTION APP, BACE1, APBA1 GRIN2D 2883/4885GRIN3B 2678/4885GRIN1 2260/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.