SCHEMBL6360883

SCHEMBL6360883

COc1ccc(C(C)(C)C)cc1C(=O)NCCc1ccc(OC)c(S(N)(=O)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.59
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ABCC9 O60706 1/20 0.54
ABCC8 Q09428 1/20 0.54
KCNJ11 Q14654 1/20 0.54
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.51
DNMT3A Q9Y6K1 1/20 0.50
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
USP2 O75604 1/20 0.48
ESRRG P62508 3/20 0.48
ESRRB O95718 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6364338 0.92 NLRP3 (0.53) NLRP3CA1CA2CA7CA9
SCHEMBL4654433 0.86 NLRP3 (0.78) NLRP3ABCC9ABCC8KCNJ11DNMT3A
SCHEMBL726540 0.85 ABCC9 (0.64) NLRP3CA1CA2CA7CA9
SCHEMBL7717194 0.85 ABCC9 (0.52) NLRP3CA1CA2CA7CA9
SCHEMBL726237 0.83 ABCC9 (0.78) NLRP3CA1CA2CA7CA9
SCHEMBL6363486 0.83 ALDH1A1 (0.58) NLRP3ALDH1A1DNMT3APPARDPPARA
SCHEMBL726534 0.83 ABCC9 (0.77) NLRP3ABCC9ABCC8KCNJ11ALDH1A1
SCHEMBL726535 0.83 ABCC9 (0.77) NLRP3CA1CA2CA7CA9
SCHEMBL6360950 0.82 ABCC9 (0.56) NLRP3CA1CA2CA7CA9
SCHEMBL6360388 0.81 ABCC9 (0.56) NLRP3ABCC9ABCC8KCNJ11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NLRP3 2654/4885CA1 2973/4885CA2 2641/4885

“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.