SCHEMBL6788751

SCHEMBL6788751

O=C(O)C(COc1ccccc1)CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.50
PPARA Q07869 4/20 0.50
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
MMP2 P08253 5/20 0.44
ADAMTS5 Q9UNA0 2/20 0.44
MME P08473 2/20 0.43
MMP9 P14780 2/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP7 P09237 1/20 0.41
MMP14 P50281 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
SCHEMBL6783348 0.88 BCL2L1 (0.49) PPARGPPARABCL2L1MCL1MMP2
SCHEMBL6790714 0.88 ADAMTS4 (0.47) PPARGPPARABCL2L1MCL1MMP2
SCHEMBL6794038 0.88 BCL2L1 (0.47) BCL2L1MCL1MMP2MMEMMP9
SCHEMBL6788518 0.85 ALDH1A1 (0.53) MMP2MMEMMP9MMP7
SCHEMBL7447715 0.85 KMT2A (0.53) CYP1A2GAACYP2C19TDP1
SCHEMBL6787286 0.85 KMT2A (0.53) CYP1A2GAACYP2C19TDP1
SCHEMBL6790296 0.84 ENPP1 (0.54) BCL2L1MCL1MMP2MMP9
SCHEMBL6783697 0.84 CYP1A2 (0.45) BCL2L1MCL1MMP2ADAMTS5MMP9
SCHEMBL6784512 0.81 SMN1; SMN2 (0.48) MMP2ADAMTS5MMP9CYP1A2GAA
SCHEMBL7360995 0.79 NPC1 (0.53) MMP2ADAMTS5MMP9GAAMMP7

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