SCHEMBL6789427

SCHEMBL6789427

O=C(Nc1ccc(S(=O)(=O)CC(COc2cccc(F)c2)C(=O)O)cc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.48
ENPP2 Q13822 3/20 0.48
GPR17 Q13304 3/20 0.46
P2RY2 P41231 2/20 0.46
ENPP3 O14638 4/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 1/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 1/20 0.43
PRMT1 Q99873 2/20 0.43
MMP3 P08254 1/20 0.42
MMP13 P45452 1/20 0.42
LMNA P02545 3/20 0.42
RXFP1 Q9HBX9 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6790296 0.90 ENPP1 (0.54) ENPP1ENPP2GPR17P2RY2ENPP3
SCHEMBL7450556 0.89 MEN1 (0.44) GPR17P2RY2MEN1KMT2AMAPT
SCHEMBL6790714 0.86 ADAMTS4 (0.47) MMP2MMP9MMP3MMP13HSD17B10
SCHEMBL6784814 0.82 PRMT1 (0.52) MEN1KMT2ASMN1; SMN2MMP2MMP9
SCHEMBL6789417 0.81 ENPP1 (0.51) ENPP1ENPP2GPR17P2RY2ENPP3
SCHEMBL6789927 0.80 MEN1 (0.43) GPR17P2RY2MEN1KMT2AMAPT
SCHEMBL6783079 0.79 MMP2 (0.58) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL6789958 0.78 MMP2 (0.48) MEN1KMT2AMAPTMMP2MMP9
SCHEMBL6787286 0.75 KMT2A (0.53) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL7447715 0.75 KMT2A (0.53) MEN1KMT2AMAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200398-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2002-05-02 EP claimed
WO-2001005756-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-01-25 WO claimed
US-6765003-B1 ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, PHARMACIA ITALIA, SPA (IT) 2004-07-20 US disclosed
EP-1200398-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2002-05-02 EP disclosed
WO-2001005756-A1 3-ARYLSULFONYL-2-(SUBSTITUTED METHYL)PROPANOIC ACID DERIVATES AS MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-01-25 WO disclosed