SCHEMBL6788586

SCHEMBL6788586

CN1C(=O)N(CC(CS(=O)(=O)c2ccc(-c3ccccc3)cc2)C(=O)O)C(=O)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.47
MMP1 P03956 10/20 0.47
MMP9 P14780 9/20 0.47
MMP3 P08254 2/20 0.47
MMP13 P45452 1/20 0.47
MMP7 P09237 1/20 0.40
MMP14 P50281 1/20 0.40
PLA2G7 Q13093 1/20 0.40
MMP8 P22894 1/20 0.38
RORC P51449 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
SCHEMBL6788993 0.91 MMP2 (0.55) MMP2MMP1MMP9MMP3MMP13
SCHEMBL6783922 0.91 MMP2 (0.55) MMP2MMP1MMP9MMP3MMP13
SCHEMBL6784899 0.80 MMP2 (0.53) MMP2MMP1MMP9MMP3MMP13
SCHEMBL6788436 0.76 MMP9 (0.55) MMP2MMP1MMP9MMP3MMP13
SCHEMBL1380534 0.73 MMP2 (0.54) MMP2MMP1MMP9MMP3MMP13
SCHEMBL1380533 0.73 MMP2 (0.54) MMP2MMP1MMP9MMP3MMP13
SCHEMBL7078071 0.72 MMP2 (0.58) MMP2MMP1MMP9MMP3MMP13
SCHEMBL7226591 0.72 MMP2 (0.60) MMP2MMP1MMP9MMP3MMP13
SCHEMBL6790746 0.72 MMP2 (0.42) MMP2MMP1MMP9MMP3MMP13
SCHEMBL7225203 0.71 MMP2 (0.57) MMP2MMP1MMP9MMP3MMP13

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 3 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 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