SCHEMBL7595976

SCHEMBL7595976

CS(=O)(=O)c1ccc(C(=O)c2ccc(S)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.48
GSR P00390 2/20 0.46
AKR1C3 P42330 2/20 0.46
PTGS2 P35354 1/20 0.44

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
SCHEMBL4321082 0.89 ENPP2 (0.58) ENPP2GSRAKR1C3PTGS2
SCHEMBL487226 0.85 ENPP2 (0.56) ENPP2PTGS2
SCHEMBL6583948 0.83 PTGS2 (0.57) ENPP2GSRAKR1C3PTGS2
Water SCHEMBL22687010 0.83 ENPP2 (0.54) ENPP2PTGS2
Water SCHEMBL28883186 0.83 ENPP2 (0.54) ENPP2PTGS2
SCHEMBL3468270 0.82 ENPP2 (0.75) ENPP2PTGS2
SCHEMBL7808806 0.82 ALDH1A1 (0.67) AKR1C3PTGS2
SCHEMBL6583952 0.82 PTGS2 (0.65) AKR1C3PTGS2
SCHEMBL14016001 0.81 PTGS2 (0.54) ENPP2PTGS2
SCHEMBL7814053 0.80 MAOB (0.63) AKR1C3PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090017-B1 NOVEL COMPOUNDS DERIVED FROM ALPHA-D-XYLOSE, PREPARATION METHOD AND THERAPEUTIC USE FOURNIER IND & SANTE (FR) 2002-10-30 EP disclosed
US-6291433-B1 Derivatives of α-D-Thioxyloside and their use against atheroma FOURNIER INDUSTRIE ET SANTE (FR) 2001-09-18 US disclosed