SCHEMBL6783455

SCHEMBL6783455

O=C(O)C(CN1C(=O)CNC1=O)CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.43
MMP9 P14780 7/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 1/20 0.36
MMP13 P45452 1/20 0.36
ADAMTS5 Q9UNA0 3/20 0.36
MMP8 P22894 1/20 0.35
ABL1 P00519 1/20 0.35
LMNA P02545 1/20 0.35
RIN1 Q13671 1/20 0.35

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
SCHEMBL6787829 0.88 MMP2 (0.43) MMP2MMP9GAAMMP1MMP3
SCHEMBL6790746 0.81 MMP2 (0.42) MMP2MMP9GAANPC1MMP1
SCHEMBL6789040 0.79 GAA (0.42) MMP2MMP9GAANPC1KMT2A
SCHEMBL6788436 0.78 MMP9 (0.55) MMP2MMP9MMP1MMP3MMP13
SCHEMBL7456913 0.78 GAA (0.42) MMP2MMP9GAANPC1MEN1
SCHEMBL6788993 0.76 MMP2 (0.55) MMP2MMP9GAANPC1MMP1
SCHEMBL6783922 0.76 MMP2 (0.55) MMP2MMP9GAANPC1MMP1
SCHEMBL6788683 0.76 MMP2 (0.40) MMP2MMP9GAANPC1MMP1
SCHEMBL7444559 0.75 MMP2 (0.48) MMP2MMP9GAANPC1MMP1
SCHEMBL7360995 0.75 NPC1 (0.53) MMP2MMP9GAANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6765003-B1 ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, PHARMACIA ITALIA, SPA (IT) 2004-07-20 US 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