SCHEMBL3778739

SCHEMBL3778739

CC(=O)NCCc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 1/20 0.58
POLB P06746 1/20 0.53
AKT1 P31749 6/20 0.49
KMT2A Q03164 2/20 0.48
IRS1 P35568 3/20 0.47
GAB1 Q13480 3/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL3785935 0.85 ALDH1A1 (0.51) ALDH1A1HSD17B10AKT1KMT2AIRS1
SCHEMBL3781318 0.85 ALDH1A1 (0.51) ALDH1A1HSD17B10POLBAKT1KMT2A
SCHEMBL3778396 0.83 ALDH1A1 (0.69) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL3788763 0.82 ALDH1A1 (0.64) ALDH1A1HSD17B10AKT1IRS1GAB1
SCHEMBL3786343 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10POLBAKT1KMT2A
SCHEMBL13017283 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10AKT1KMT2AIRS1
SCHEMBL3783773 0.82 MEN1 (0.49) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL3788831 0.82 KMT2A (0.57) ALDH1A1HSD17B10POLBKMT2AMEN1
SCHEMBL3786365 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10POLBAKT1KMT2A
SCHEMBL3782620 0.82 MEN1 (0.57) ALDH1A1HSD17B10POLBKMT2AMEN1

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 9 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
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 ALDH1A1 1118/4885HSD17B10 877/4885POLB 1602/4885

“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.