SCHEMBL728039

SCHEMBL728039

CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(C(C)(C)C)ccc2OC)ccc1OCCOC

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.69
ABCC8 Q09428 1/20 0.69
KCNJ11 Q14654 1/20 0.69
ALDH1A1 P00352 1/20 0.46
NLRP3 Q96P20 3/20 0.45
DNMT3A Q9Y6K1 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6363986 0.94 ABCC9 (0.68) ABCC9ABCC8KCNJ11ALDH1A1NLRP3
SCHEMBL726237 0.93 ABCC9 (0.78) ABCC9ABCC8KCNJ11ALDH1A1NLRP3
SCHEMBL6361002 0.92 ABCC9 (0.70) ABCC9ABCC8KCNJ11ALDH1A1NLRP3
SCHEMBL726535 0.92 ABCC9 (0.77) ABCC9ABCC8KCNJ11ALDH1A1NLRP3
SCHEMBL726534 0.92 ABCC9 (0.77) ABCC9ABCC8KCNJ11ALDH1A1NLRP3
SCHEMBL726272 0.89 ABCC9 (0.87) ABCC9ABCC8KCNJ11NLRP3DNMT3A
SCHEMBL6363889 0.89 ABCC9 (0.69) ABCC9ABCC8KCNJ11ALDH1A1NLRP3
SCHEMBL6364340 0.88 ABCC9 (0.69) ABCC9ABCC8KCNJ11ALDH1A1NLRP3
SCHEMBL6358933 0.88 ABCC9 (0.69) ABCC9ABCC8KCNJ11ALDH1A1NLRP3
SCHEMBL6567784 0.88 ABCC9 (0.85) ABCC9ABCC8KCNJ11NLRP3DNMT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4733268-B2 2011-07-27 JP claimed
EP-1117409-B1 BENZENESULFONYL(THIO)UREAS IN COMBINATION WITH BETA-BLOCKERS FOR THE TREATMENT OF DYSFUNCTIONS OF THE AUTONOMOUS NERVOUS SYSTEM AVENTIS PHARMA GMBH (DE) 2005-01-26 EP claimed
US-6414030-B1 1-((5-(2-(5-TERT-BUTYL-2-METHOXYBENZAMIDO)ETHYL)-2-METHOXYPHEN YL)-SULFONYL)-3-METHYLTHIOUREA AND PROPANOLOL FOR EXAMPLE AVENTIS PHARMA DEUTSCHLAND, GMBH (DE) 2002-07-02 US claimed
US-20020082300-A1 USE OF BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT AND PROPHYLAXIS OF DYSFUNCTIONS OF THE AUTONOMOUS NERVOUS SYSTEM AND USE OF BENZENESULFONYL(THIO)UREAS IN COMBINATION WITH BETA-RECEPTOR BLOCKERS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-06-27 US claimed
EP-1117409-A2 USE OF BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT OF DYSFUNCTIONS OF THE AUTONOMOUS NERVOUS SYSTEM Aventis Pharma Deutschland GmbH (DE) 2001-07-25 EP claimed
WO-2000015204-A2 USE OF BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT AND PROPHYLAXIS OF DYSFUNCTIONS OF THE AUTONOMOUS NERVOUS SYSTEM AND USE OF BENZENESULFONYL(THIO)UREAS IN COMBINATION WITH BETA-RECEPTOR BLOCKERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-03-23 WO claimed
EP-1117409-B1 BENZENESULFONYL(THIO)UREAS IN COMBINATION WITH BETA-BLOCKERS FOR THE TREATMENT OF DYSFUNCTIONS OF THE AUTONOMOUS NERVOUS SYSTEM AVENTIS PHARMA GMBH (DE) 2005-01-26 EP disclosed
US-6414030-B1 1-((5-(2-(5-TERT-BUTYL-2-METHOXYBENZAMIDO)ETHYL)-2-METHOXYPHEN YL)-SULFONYL)-3-METHYLTHIOUREA AND PROPANOLOL FOR EXAMPLE AVENTIS PHARMA DEUTSCHLAND, GMBH (DE) 2002-07-02 US disclosed
US-20020082300-A1 USE OF BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT AND PROPHYLAXIS OF DYSFUNCTIONS OF THE AUTONOMOUS NERVOUS SYSTEM AND USE OF BENZENESULFONYL(THIO)UREAS IN COMBINATION WITH BETA-RECEPTOR BLOCKERS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-06-27 US disclosed
EP-1117409-A2 USE OF BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT OF DYSFUNCTIONS OF THE AUTONOMOUS NERVOUS SYSTEM Aventis Pharma Deutschland GmbH (DE) 2001-07-25 EP disclosed
WO-2000015204-A2 USE OF BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT AND PROPHYLAXIS OF DYSFUNCTIONS OF THE AUTONOMOUS NERVOUS SYSTEM AND USE OF BENZENESULFONYL(THIO)UREAS IN COMBINATION WITH BETA-RECEPTOR BLOCKERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-03-23 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 (1 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-20020082300-A1 USE OF BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT AND PROPHYLAXIS OF DYSFUNCTIONS OF THE AUTONOMOUS NERVOUS SYSTEM AND USE OF BENZENESULFONYL(THIO)UREAS IN COMBINATION WITH BETA-RECEPTOR BLOCKERS UTS2R, TST, SIGMAR1 ABCC9 340/4885ABCC8 196/4885KCNJ11 252/4885

“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.