SCHEMBL3779515

SCHEMBL3779515

COc1ccc(C(F)(F)F)cc1C(=O)NCCc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
NLRP3 Q96P20 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL3779374 0.94 ALDH1A1 (0.49) PPARDPPARANLRP3ALDH1A1HSD17B10
SCHEMBL3783954 0.93 ALDH1A1 (0.50) NLRP3ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3779525 0.90 ESRRG (0.45) PPARDPPARAALDH1A1HSD17B10MEN1
SCHEMBL3782616 0.89 NLRP3 (0.55) NLRP3ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3771873 0.89 ALDH1A1 (0.52) NLRP3ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3778384 0.88 ALDH1A1 (0.44) PPARDPPARANLRP3ALDH1A1HSD17B10
SCHEMBL3780347 0.88 NLRP3 (0.66) NLRP3MEN1KMT2A
SCHEMBL14544715 0.88 P2RY1 (0.49) ALDH1A1HSD17B10
SCHEMBL3786790 0.88 ALDH1A1 (0.46) PPARDPPARAALDH1A1HSD17B10MEN1
SCHEMBL3784544 0.88 ALDH1A1 (0.46) PPARDPPARAALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090054494-A1 N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS THEREOF AND METHODS FOR THEIR THERAPEUTIC USE PPARD, PPARG, PPARA PPARD 1/4885PPARA 3/4885NLRP3 2823/4885

“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.