SCHEMBL3960184

SCHEMBL3960184

N#Cc1ccc(C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.48
PKM P14618 1/20 0.44
LIG1 P18858 1/20 0.44
RAB9A P51151 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HPGDS O60760 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL22071237 0.82 DAO (0.52) DAOPKMLIG1RAB9AHDAC8
SCHEMBL10638684 0.81 S1PR1 (0.41) DAORAB9AHDAC8MEN1KMT2A
SCHEMBL352339 0.81 L3MBTL1 (0.56) DAORAB9AHDAC8S1PR2S1PR4
SCHEMBL7205892 0.81 F2 (0.52) DAORAB9AHDAC8S1PR2S1PR4
SCHEMBL2226439 0.80 NPSR1 (0.51) HDAC8MEN1POLBKMT2AS1PR2
SCHEMBL5162659 0.80 DAO (0.50) DAOPKMLIG1RAB9AHDAC8
SCHEMBL8739630 0.79 ALDH1A1 (0.59) RAB9AMEN1POLBKMT2AALDH1A1
SCHEMBL1277482 0.78 HDAC8 (0.66) DAOPKMLIG1RAB9AHDAC8
SCHEMBL29808747 0.78 DAO (0.64) DAOPKMLIG1RAB9AMEN1
SCHEMBL6284311 0.76 GSK3B (0.56) HDAC8MEN1KMT2AS1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604326-B1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORP (JP) 2026-01-07 EP disclosed
EP-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
US-12297209-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2025-04-08 US disclosed
US-20240360155-A1 Benzodiazepine Derivatives as RSV Inhibitors ENANTA PHARM INC (US) 2024-10-31 US disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 WO disclosed
CN-118248927-A High-temperature-resistant long-service-life lithium ion or sodium ion battery and preparation method thereof 深圳市固易能科技有限责任公司 2024-06-25 CN disclosed
WO-2024086804-A1 INDOLIZINE DERIVATIVES FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2024-04-25 WO disclosed
US-11952389-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2024-04-09 US disclosed
EP-3687543-B1 COMBINATIONS OF PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARM INC (US) 2024-03-20 EP disclosed
US-20020072626-A1 Methods for producing 3-cyano- and 4-cyano-benzoic acid derivative compounds COR THERAPEUTICS, INC. 2002-06-13 US disclosed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2001042198-A2 METHODS FOR PRODUCING CYANOBENZOIC ACID DERIVATIVES MILLENIUM PHARMACEUTICALS, INC. (US) 2001-06-14 WO disclosed
US-5344834-A Functionalized vinyl azoles and methods of use SCHERING AKTIENGESELLSCHAFT (DE) 1994-09-06 US disclosed
EP-0550697-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING FUNCTIONALIZED VINYLAZOLES, USE OF THESE VINYLAZOLES FOR PRODUCING MEDICAMENTS, THESE VINYLAZOLES THEMSELVES AND PROCESS FOR PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1993-07-14 EP disclosed
WO-1992010482-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING FUNCTIONALIZED VINYLAZOLES, USE OF THESE VINYLAZOLES FOR PRODUCING MEDICAMENTS, THESE VINYLAZOLES THEMSELVES AND PROCESS FOR PRODUCING THE SAME SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1992-06-25 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 (7 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-20020072626-A1 Methods for producing 3-cyano- and 4-cyano-benzoic acid derivative compounds PFKP, PCCA, TBXAS1 DAO 122/4885PKM 1978/4885LIG1 267/4885
US-20240360155-A1 Benzodiazepine Derivatives as RSV Inhibitors GABRA5, GABRA1, GABBR2 DAO 2453/4885PKM 625/4885LIG1 4862/4885
US-11952389-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 DAO 2453/4885PKM 625/4885LIG1 4862/4885
US-12297209-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 DAO 2453/4885PKM 625/4885LIG1 4862/4885
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 DAO 1360/4885PKM 2752/4885LIG1 1813/4885
US-12268694-B2 Combination pharmaceutical agents as RSV inhibitors ACE, ACE2, SPCS3 DAO 4312/4885PKM 3237/4885LIG1 4854/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 DAO 1098/4885PKM 4026/4885LIG1 1648/4885

“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.