SCHEMBL7301636

SCHEMBL7301636

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 0.57
MMP1 P03956 5/20 0.52
MMP2 P08253 6/20 0.48
TARS1 P26639 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL7302708 0.87 MMP13 (0.73) MMP13MMP1MMP2
Hydrochloric Acid SCHEMBL7307675 0.86 MMP13 (0.71) MMP13MMP1MMP2
SCHEMBL7301763 0.83 MMP13 (0.64) MMP13MMP1MMP2TARS1
SCHEMBL7301778 0.83 MMP13 (0.64) MMP13MMP1MMP2TARS1
SCHEMBL7308976 0.81 MMP13 (0.58) MMP13MMP1MMP2TARS1
SCHEMBL7308959 0.81 MMP13 (0.58) MMP13MMP1MMP2TARS1
SCHEMBL7308292 0.80 MMP13 (0.61) MMP13MMP1MMP2TARS1
SCHEMBL7303933 0.79 MMP13 (0.76) MMP13MMP1MMP2
SCHEMBL7303925 0.79 MMP13 (0.76) MMP13MMP1MMP2
SCHEMBL7310335 0.74 MMP13 (0.65) MMP13MMP1MMP2

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
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed