SCHEMBL3784872

SCHEMBL3784872

COc1ccc(C(=O)NCc2ccc(S(=O)(=O)Nc3nnc(C(C)C)s3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.71
HSD17B10 Q99714 2/20 0.71
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 3/20 0.51
PKM P14618 3/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 2/20 0.51
SCN3A Q9NY46 1/20 0.51
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CXCR3 P49682 1/20 0.49
GGT1 P19440 1/20 0.49
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL3778396 0.91 ALDH1A1 (0.69) ALDH1A1HSD17B10RAB9AHPGDPKM
SCHEMBL3777171 0.86 SCN3A (0.64) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL3773919 0.86 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDSCN3AEPHX2
SCHEMBL3778727 0.84 ALDH1A1 (0.53) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3786795 0.81 ALDH1A1 (0.55) ALDH1A1HSD17B10MEN1KMT2AMAPT
SCHEMBL3786604 0.81 MEN1 (0.57) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3773992 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3165768 0.79 SCN3A (0.77) ALDH1A1NPC1RAB9APKMMEN1
SCHEMBL3780349 0.78 ALDH1A1 (0.60) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3786343 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10RAB9AMEN1KMT2A

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 ALDH1A1 1118/4885HSD17B10 877/4885NPC1 880/4885

“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.