SCHEMBL6789762

SCHEMBL6789762

Cc1nnc(SCC(CS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 1/20 0.48
HSD11B1 P28845 1/20 0.48
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
MAPT P10636 1/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 5/20 0.39
MMP9 P14780 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP3 P08254 3/20 0.39
MMP13 P45452 2/20 0.39
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL6787862 0.89 ALDH1A1 (0.46) ALDH1A1LMNAHSD11B1KMT2APOLB
SCHEMBL6788046 0.88 MAPT (0.43) ALDH1A1LMNAMAPTGAAL3MBTL1
SCHEMBL6788038 0.80 MGAM (0.41) ALDH1A1LMNAMAPTGAAMMP2
SCHEMBL6783258 0.79 HPGD (0.44) ALDH1A1LMNAHPGDMAPTL3MBTL1
SCHEMBL7447846 0.79 HPGD (0.44) ALDH1A1LMNAHPGDMAPTL3MBTL1
SCHEMBL6796186 0.78 MMP2 (0.62) HSD11B1MMP2MMP9MMP3MMP13
SCHEMBL6783185 0.78 MMP2 (0.62) HSD11B1MMP2MMP9MMP3MMP13
SCHEMBL6783118 0.78 MMP2 (0.62) HSD11B1MMP2MMP9MMP3MMP13
SCHEMBL6794032 0.77 MMP2 (0.39) ALDH1A1HSD11B1KMT2AHPGDMAPT
SCHEMBL6788702 0.77 MMP2 (0.45) HSD11B1KMT2AMMP2MMP9MMP3

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