SCHEMBL3782645

SCHEMBL3782645

COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.82
DNMT3A Q9Y6K1 1/20 0.75
HDAC1 Q13547 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69

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
SCHEMBL11851297 0.91 NLRP3 (0.82) NLRP3DNMT3A
SCHEMBL11752364 0.90 NLRP3 (1.00) NLRP3DNMT3AHDAC1HDAC6
SCHEMBL8993421 0.90 NLRP3 (1.00) NLRP3DNMT3AHDAC1HDAC6
SCHEMBL29397166 0.90 NLRP3 (1.00) NLRP3DNMT3AHDAC1HDAC6
SCHEMBL29623532 0.89 NLRP3 (1.00) NLRP3DNMT3A
SCHEMBL20254183 0.89 NLRP3 (1.00) NLRP3DNMT3A
SCHEMBL16261128 0.89 NLRP3 (1.00) NLRP3DNMT3A
SCHEMBL29516883 0.89 NLRP3 (1.00) NLRP3DNMT3A
SCHEMBL16261121 0.88 NLRP3 (0.77) NLRP3DNMT3A
SCHEMBL4654235 0.88 ABCC9 (0.72) NLRP3DNMT3AHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10343985-B2 Cryopyrin inhibitors for preventing and treating inflammation VIRGINIA COMMONWEALTH UNIVERSITY (US) 2019-07-09 US disclosed
US-10343985-B2 Cryopyrin inhibitors for preventing and treating inflammation VIRGINIA COMMONWEALTH UNIVERSITY (US) 2019-07-09 US disclosed
WO-2018103583-A1 N-HYDROXY-BENZENE-SULFONAMIDE DERIVATIVES AND THEIR USES THEREOF ZIBO ANXUAN PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2018-06-14 WO disclosed
US-20160052876-A1 CRYOPYRIN INHIBITORS FOR PREVENTING AND TREATING INFLAMMATION VIRGINIA COMMONWEALTH UNIVERSITY 2016-02-25 US disclosed
US-7858647-B2 N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions thereof and methods for their therapeutic use SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-7858647-B2 N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions thereof and methods for their therapeutic use SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-7858647-B2 N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions thereof and methods for their therapeutic use SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-20090054494-A1 N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-26 US disclosed
US-20090054494-A1 N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-26 US disclosed
US-20090054494-A1 N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-26 US disclosed
EP-1937657-A1 N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-07-02 EP disclosed
WO-2007039175-A1 N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039175-A1 N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
US-3965173-A MULTISTAGE, METHYLATION OF 5-CHLOROSALICYLIC ACID CHUBB FRANCIS L 1976-06-22 US 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 (3 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-10343985-B2 Cryopyrin inhibitors for preventing and treating inflammation IL1RN, SERPINB1, NFKBIA NLRP3 11/4885DNMT3A 4558/4885HDAC1 2366/4885
US-20090054494-A1 N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR THEIR THERAPEUTIC USE PPARD, PPARG, PPARA NLRP3 2823/4885DNMT3A 4174/4885HDAC1 1889/4885
US-20160052876-A1 CRYOPYRIN INHIBITORS FOR PREVENTING AND TREATING INFLAMMATION IL1RN, SERPINB1, NFKBIA NLRP3 11/4885DNMT3A 4558/4885HDAC1 2366/4885

“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.