SCHEMBL3373663

SCHEMBL3373663

CCOc1cc(C(F)(F)F)ccc1C(=O)N[C@@H]1C[C@H]1c1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 1/20 0.44
USP2 O75604 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RY1 P47900 1/20 0.40
POLB P06746 1/20 0.40
AVPR2 P30518 1/20 0.38
GPR27 Q9NS67 1/20 0.38
SCN9A Q15858 3/20 0.38
SCN5A Q14524 2/20 0.38
USP8 P40818 2/20 0.38
LMNA P02545 1/20 0.37
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL3373662 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10USP2MEN1KMT2A
SCHEMBL3374848 0.92 ALDH1A1 (0.43) ALDH1A1HSD17B10USP2MEN1KMT2A
SCHEMBL3374845 0.92 ALDH1A1 (0.43) ALDH1A1HSD17B10USP2MEN1KMT2A
SCHEMBL3372351 0.92 ALDH1A1 (0.43) ALDH1A1HSD17B10USP2MEN1KMT2A
SCHEMBL3372348 0.92 ALDH1A1 (0.43) ALDH1A1HSD17B10USP2MEN1KMT2A
SCHEMBL3372355 0.92 ALDH1A1 (0.43) ALDH1A1HSD17B10USP2MEN1KMT2A
SCHEMBL13437519 0.87 ALDH1A1 (0.44) ALDH1A1HSD17B10USP2HPGDSMN1; SMN2
SCHEMBL1971486 0.85 ALDH1A1 (0.42) ALDH1A1HSD17B10USP2MEN1KMT2A
SCHEMBL1969611 0.84 ALDH1A1 (0.41) ALDH1A1HSD17B10USP2MEN1KMT2A
SCHEMBL1969896 0.83 ALDH1A1 (0.41) ALDH1A1HSD17B10USP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP disclosed
EP-1937659-B1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2010-11-10 EP disclosed
US-7683181-B2 Cyclic N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions and methods for the therapeutic use thereof SANOFI-AVENTIS (FR) 2010-03-23 US disclosed
US-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-13 US disclosed
EP-1937659-A1 CYCLIC 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-2007039173-A1 CYCLIC 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-20080280959-A1 CYCLIC N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE THERAPEUTIC USE THEREOF PPARD, GPR119, PPARG ALDH1A1 1628/4885HSD17B10 1246/4885USP2 4082/4885

“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.