Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7112519

CC(C)[C@H](N)C(O)c1nnc(C(C)(C)c2ccc3c(c2)OCO3)o1.Cl

nearest known ligand 0.40

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
SLC6A2 known ✓ P23975 2/20 0.37
SLC6A3 known ✓ Q01959 2/20 0.37
GABRA1 known ✓ P14867 1/20 0.37
MAOA known ✓ P21397 1/20 0.37
PDE4A known ✓ P27815 1/20 0.37
KDR known ✓ P35968 1/20 0.37
GABRB2 known ✓ P47870 1/20 0.37
SLC6A4 known ✓ P31645 2/20 0.35
HTR3E known ✓ A5X5Y0 1/20 0.32
HTR3B known ✓ O95264 1/20 0.32
HTR3A known ✓ P46098 1/20 0.32
HTR3D known ✓ Q70Z44 1/20 0.32
HTR3C known ✓ Q8WXA8 1/20 0.32
GAA known ✓ P10253 2/20 0.31
ELANE P08246 1/20 0.40
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
KIF11 P52732 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32

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 SCHEMBL8494600 1.00 ELANE (0.40) ELANESLC6A2SLC6A3PGRAR
SCHEMBL7117137 0.99 ELANE (0.40) ELANESLC6A2SLC6A3PGRAR
Hydrochloric Acid SCHEMBL7117389 0.80 ELANE (0.35) ELANESLC6A2SLC6A3SLC6A4KDM4E
Hydrochloric Acid SCHEMBL7125040 0.78 ELANE (0.51) ELANESLC6A2SLC6A3PGRAR
Hydrochloric Acid SCHEMBL7204551 0.75 DPP4 (0.31)
Hydrochloric Acid SCHEMBL7072124 0.75 DPP4 (0.31)
SCHEMBL7588588 0.73 DPP4 (0.31)
SCHEMBL7128619 0.69 ELANE (0.43) ELANEMAPTKDM4EALDH1A1HPGD
SCHEMBL7123982 0.69 ELANE (0.43) ELANEMAPTKDM4EALDH1A1HPGD
SCHEMBL7123976 0.69 ELANE (0.43) ELANEMAPTKDM4EALDH1A1HPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176642-A1 Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors GYORKOS ALBERT (US) 2003-09-18 US disclosed
US-6548638-B2 Treatment or amelioration of symptoms of adult respiratory distress syndrome, septic shock, and multiple organ failure. CORTECH, INC. 2003-04-15 US disclosed
US-20020010315-A1 Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors GYORKOS ALBERT (US) 2002-01-24 US disclosed
EP-1089752-A4 ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS CORTECH INC (US) 2002-01-02 EP disclosed
EP-1135151-A4 PEPTOID AND NONPEPTOID CONTAINING ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS CORTECH INC (US) 2002-01-02 EP disclosed
EP-1135151-A1 PEPTOID AND NONPEPTOID CONTAINING ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS Cortech Inc. (US) 2001-09-26 EP disclosed
US-6255453-B1 INHIBITORS OF HUMAN NEUTOPHIL ELASTASE; TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPTIC SHOCK, MULTIPLE ORGAN FAILURE, PERIODONTAL DISEASE, GLOMERULONEPHRITIS, CYSTIC FIBROSIS; ANTIARTHRTITIC AGENTS CORTECH, INC. 2001-07-03 US disclosed
EP-1089752-A1 ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS Cortech Inc. (US) 2001-04-11 EP disclosed
WO-2000032216-A1 PEPTOID AND NONPEPTOID CONTAINING ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS CORTECH INC. (US) 2000-06-08 WO disclosed
US-6001813-A Val-pro containing α-keto oxadiazoles as serine protease inhibitors CORTECH INC. (US) 1999-12-14 US disclosed
US-6001814-A TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPSISMULTIPLE ORGAN FAILURE CORTECH INC. (US) 1999-12-14 US disclosed
WO-1999062538-A1 ALPHA-KETO OXADIAZOLES AS SERINE PROTEASE INHIBITORS CORTECH INC. (US) 1999-12-09 WO 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 (2 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-20020010315-A1 Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors ELANE, SERPINB1, HPN SLC6A2 4077/4885SLC6A3 4061/4885GABRA1 4334/4885
US-20030176642-A1 Peptoid and nonpeptoid containing alpha-keto oxadiazoles as serine protease inhibitors ELANE, SERPINB1, HPN SLC6A2 4077/4885SLC6A3 4061/4885GABRA1 4334/4885

“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.