Sugi Predict

Sugi Predict / Compounds / SCHEMBL7901566

SCHEMBL7901566

SCHEMBL7901566

COc1ccc(-c2ccc(S(=O)(=O)NC(CC#CCN3CCCC3)C(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 20/20 1.00
▸ MMP2 P08253 19/20 1.00
▸ MMP3 P08254 12/20 0.84
▸ MMP1 P03956 8/20 0.84
▸ MMP9 P14780 1/20 0.67
▸ MMP8 P22894 1/20 0.67

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
SCHEMBL7595435 0.93 MMP13 (0.87) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7509322 0.91 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7510411 0.89 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7512014 0.89 MMP2 (0.86) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7508577 0.87 MMP2 (0.82) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7517311 0.85 MMP13 (0.81) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7513667 0.84 MMP13 (0.88) MMP13MMP2MMP3MMP1MMP9
SCHEMBL4327772 0.84 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7502924 0.84 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7454031 0.84 MMP2 (1.00) MMP13MMP2MMP3MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 — — US claimed
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 — — US disclosed