SCHEMBL4449310

SCHEMBL4449310

CCOC(=O)c1sc(-c2ccc(OS(=O)(=O)C(F)(F)F)c(C#N)c2)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.55
ABCC4 O15439 1/20 0.55
ABCB11 O95342 1/20 0.55
PGR P06401 1/20 0.55
CHRM1 P11229 1/20 0.55
PDE4A P27815 1/20 0.55
BLVRB P30043 1/20 0.55
TARBP2 Q15633 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
CDC7 O00311 2/20 0.48
DBF4 Q9UBU7 2/20 0.48
PPID Q08752 1/20 0.47
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HSP90AA1 P07900 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 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
SCHEMBL19523342 0.84 XDH (0.65) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523349 0.84 XDH (0.60) XDHABCC4ABCB11PGRCHRM1
SCHEMBL14037590 0.83 XDH (0.46) XDHABCC4ABCB11PGRCHRM1
SCHEMBL13117989 0.83 CDC7 (0.51) CDC7DBF4MEN1MAPTKMT2A
SCHEMBL13140412 0.83 XDH (0.50) XDHABCC4ABCB11PGRCHRM1
SCHEMBL29183641 0.83 XDH (0.64) XDHABCC4ABCB11PGRCHRM1
SCHEMBL299586 0.82 CDC7 (0.61) TARBP2CDC7DBF4MEN1MAPT
SCHEMBL8868180 0.82 XDH (0.77) XDHABCC4ABCB11PGRCHRM1
SCHEMBL299345 0.81 MAPT (0.56) CDC7DBF4MEN1MAPTKMT2A
SCHEMBL1329734 0.80 XDH (0.60) XDHABCC4ABCB11PGRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426453-B2 Treatment of a stomach or small intestine ulcer with 2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ASTELLAS PHARMA INC. (JP) 2013-04-23 US disclosed
EP-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP disclosed