SCHEMBL6790501

SCHEMBL6790501

O=C(O)C(CSc1nnnn1Cc1ccccc1)CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.42
RECQL P46063 1/20 0.42
RGS12 O14924 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6787718 0.84 LMNA (0.44) ALDH1A1TSHRLMNAHPGDRGS12
SCHEMBL6783118 0.78 MMP2 (0.62) ADAMTS5MMP2
SCHEMBL6783185 0.78 MMP2 (0.62) ADAMTS5MMP2
SCHEMBL6796186 0.78 MMP2 (0.62) ADAMTS5MMP2
SCHEMBL6783283 0.77 MMP2 (0.36) ALDH1A1HPGDSMN1; SMN2ADAMTS5MMP2
SCHEMBL7448510 0.76 ALDH1A1 (0.46) ALDH1A1TSHRRAB9AMEN1KMT2A
SCHEMBL6784793 0.76 ALDH1A1 (0.46) ALDH1A1TSHRRAB9AMEN1KMT2A
SCHEMBL6788702 0.75 MMP2 (0.45) MAPK1KMT2APKMADAMTS5MMP2
SCHEMBL6794458 0.75 ALDH1A1 (0.48) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL6790067 0.74 CA12 (0.51) ALDH1A1TSHRLMNARAB9AMEN1

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