SCHEMBL3787111

SCHEMBL3787111

CCOc1cc(C(F)(F)F)ccc1C(=O)NCCc1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
P2RY1 P47900 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.41
USP8 P40818 1/20 0.41
AKT1 P31749 2/20 0.40
IRS1 P35568 2/20 0.40
GAB1 Q13480 2/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
POLB P06746 2/20 0.40
SCN3A Q9NY46 1/20 0.40
AVPR2 P30518 1/20 0.40
GPR27 Q9NS67 1/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3786790 0.94 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1P2RY1NPSR1
SCHEMBL3777973 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1P2RY1NPSR1
SCHEMBL3785923 0.88 ALDH1A1 (0.44) ALDH1A1P2RY1USP2USP8AKT1
SCHEMBL3784544 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1P2RY1USP2
SCHEMBL3779374 0.86 ALDH1A1 (0.49) ALDH1A1P2RY1USP2USP8PPARD
SCHEMBL3778384 0.85 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1P2RY1USP2
SCHEMBL14544715 0.83 P2RY1 (0.49) ALDH1A1P2RY1USP2USP8AKT1
SCHEMBL3784497 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1P2RY1USP2
SCHEMBL3779306 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1P2RY1NPSR1
SCHEMBL3786565 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1P2RY1NPSR1

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 1118/4885KMT2A 3139/4885MEN1 4653/4885

“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.