SCHEMBL7183675

SCHEMBL7183675

N[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.56
KYNU Q16719 2/20 0.54
MMP1 P03956 5/20 0.52
MMP2 P08253 3/20 0.52
SOS1 Q07889 1/20 0.51
MMP3 P08254 2/20 0.50
LTA4H P09960 1/20 0.50
MMP8 P22894 1/20 0.50
MMP9 P14780 1/20 0.49
MMP14 P50281 1/20 0.49
TARS1 P26639 1/20 0.48

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
SCHEMBL7183670 1.00 MMP13 (0.56) MMP13KYNUMMP1MMP2SOS1
SCHEMBL27767605 0.85 KYNU (0.65) MMP13KYNU
SCHEMBL9064967 0.85 KYNU (0.65) MMP13KYNU
Hydrochloric Acid SCHEMBL7301537 0.85 MMP13 (0.67) MMP13MMP1MMP2MMP3MMP8
Hydrochloric Acid SCHEMBL7301531 0.85 MMP13 (0.67) MMP13MMP1MMP2MMP3MMP8
Hydrochloric Acid SCHEMBL7207769 0.82 HTT (0.55) MMP13KYNUMMP1
SCHEMBL7308976 0.82 MMP13 (0.58) MMP13MMP1MMP2TARS1
SCHEMBL7308959 0.82 MMP13 (0.58) MMP13MMP1MMP2TARS1
SCHEMBL7870745 0.79 KYNU (0.57) MMP13KYNUMMP1MMP2MMP3
SCHEMBL7178204 0.79 MMP13 (0.75) MMP13KYNUMMP1MMP2MMP3

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-6583299-B1 Matrix metalloprotease inhibitors; nonsuppression of tumor necrosis factor production G.D. SEARLE & CO. 2003-06-24 US disclosed
EP-1178959-A1 ALPHA-AMINO-BETA-SULFONYL HYDROXAMIC ACID COMPOUNDS G.D. SEARLE & CO. (US) 2002-02-13 EP disclosed
WO-2000071514-A1 α-AMINO-β-SULFONYL HYDROXAMIC ACID COMPOUNDS G.D. SEARLE & CO. (US) 2000-11-30 WO disclosed