Sugi Predict

Sugi Predict / Compounds / SCHEMBL7308056

SCHEMBL7308056

SCHEMBL7308056

O=C(N[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 15/20 1.00
▸ MMP1 P03956 2/20 0.53
▸ CTSK P43235 3/20 0.52
▸ CTSS P25774 1/20 0.52

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
SCHEMBL7308069 1.00 MMP13 (1.00) MMP13MMP1CTSKCTSS
SCHEMBL7299964 0.90 MMP13 (0.82) MMP13MMP1CTSKCTSS
SCHEMBL7180333 0.90 MMP13 (0.82) MMP13MMP1CTSKCTSS
SCHEMBL7303925 0.87 MMP13 (0.76) MMP13MMP1CTSKCTSS
SCHEMBL7303933 0.87 MMP13 (0.76) MMP13MMP1CTSKCTSS
SCHEMBL7182155 0.84 MMP13 (1.00) MMP13MMP1
SCHEMBL7310335 0.79 MMP13 (0.65) MMP13MMP1CTSKCTSS
SCHEMBL7301940 0.78 MMP13 (0.76) MMP13MMP1
SCHEMBL27464043 0.78 MMP13 (0.63) MMP13MMP1CTSKCTSS
Hydrochloric Acid SCHEMBL7302619 0.77 MMP13 (0.74) MMP13MMP1

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