Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1977191

Cl.NCCS(=O)(=O)c1ccccc1

nearest known ligand 0.57

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
HSD11B1 known ✓ P28845 5/20 0.50
HTR6 known ✓ P50406 3/20 0.47
CA2 known ✓ P00918 2/20 0.46
HDAC3 known ✓ O15379 1/20 0.43
HDAC4 known ✓ P56524 1/20 0.43
HDAC1 known ✓ Q13547 1/20 0.43
HDAC7 known ✓ Q8WUI4 1/20 0.43
HDAC2 known ✓ Q92769 1/20 0.43
HDAC10 known ✓ Q969S8 1/20 0.43
HDAC11 known ✓ Q96DB2 1/20 0.43
HDAC8 known ✓ Q9BY41 1/20 0.43
HDAC6 known ✓ Q9UBN7 1/20 0.43
HDAC9 known ✓ Q9UKV0 1/20 0.43
HDAC5 known ✓ Q9UQL6 1/20 0.43
PSIP1 O75475 1/20 0.54
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46

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
SCHEMBL1540593 0.98 PSIP1 (0.56) PSIP1HSD11B1HTR6CA12CA1
Hydrochloric Acid SCHEMBL17261315 0.85 KEAP1 (0.53) PSIP1HSD11B1HTR6CA12CA1
SCHEMBL4409970 0.84 PSIP1 (0.52) PSIP1HSD11B1HTR6CA12CA1
SCHEMBL777601 0.83 PSIP1 (0.67) PSIP1HSD11B1HTR6CA12CA1
SCHEMBL17266530 0.83 KEAP1 (0.54) PSIP1HSD11B1HTR6CA12CA1
SCHEMBL20329721 0.81 HDAC1 (0.56) PSIP1HSD11B1HTR6CA2L3MBTL1
SCHEMBL246716 0.79 PSIP1 (0.56) PSIP1HSD11B1HTR6CA12CA1
SCHEMBL778246 0.79 PSIP1 (0.56) PSIP1HSD11B1HTR6L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL23751236 0.78 ALDH1A1 (0.67) PSIP1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL31235494 0.78 KMT2A (0.46) HSD11B1CA1CA2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112739699-B Pyridopyrimidine compounds as histamine H4 receptor inhibitors 费斯制药股份有限公司 2023-11-28 CN disclosed
EP-2336141-B1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS INC (US) 2016-03-30 EP disclosed
US-9226932-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-06-19 US disclosed
US-8664204-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. 2013-11-14 US disclosed
US-8507464-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-8003625-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
EP-2336141-A2 Phosphoramidate alkylator prodrugs Threshold Pharmaceuticals, Inc. (US) 2011-06-22 EP disclosed
US-6380228-B1 E.G., N-(2-PHENYLSULFONYL-1-ETHYL)-3-(4-CYANOPHENYL)-2,3-DIHYDRO-IMIDAZO(2,1 -B)THIAZOLE-5-CARBOXAMIDE HYDROCHLORIDE; TREATING CANCER, NEUROFIBROMIN BENIGN PROLIFERATIVE DISORDER, RETINAL VASCULARIZATION, AND HEPATITIS DELTA MERCK & CO., INC. 2002-04-30 US disclosed
US-20020045759-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. 2002-04-18 US disclosed
EP-1192151-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-04-03 EP disclosed
WO-2001076694-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-10-18 WO disclosed
WO-2001004111-A1 ANILINOQUINAZOLINES AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2001-01-18 WO disclosed
US-4895840-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-01-23 US disclosed
EP-0295010-A1 Derivatives of alkylaminoalkyl ureas and cyanoguanidines A.H. ROBINS COMPANY, INCORPORATED (US) 1988-12-14 EP disclosed
US-4724235-A N-(arylthioalkyl)-N'-(aminoalkyl)ureas useful in the treatment of arrhythmia A. H. ROBINS COMPANY, INCORPORATED (US) 1988-02-09 US disclosed
US-4597902-A TREATMENT OF CARDIAC ARRHYTHMIAS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-07-01 US disclosed
EP-0066415-B1 N-(ARYLTHIOALKYL)-N'-(AMINOALKYL)UREAS A.H. ROBINS COMPANY, INCORPORATED (US) 1985-10-02 EP 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-20110251159-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP HSD11B1 2863/4885HTR6 3116/4885CA2 3107/4885
US-20020045759-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE FNTA, KRAS, PTAR1 HSD11B1 1386/4885HTR6 4854/4885CA2 3922/4885
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP HSD11B1 2863/4885HTR6 3116/4885CA2 3107/4885
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP HSD11B1 2863/4885HTR6 3116/4885CA2 3107/4885

“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.