SCHEMBL23745243

SCHEMBL23745243

COC[C@]1(CCC(=O)N2Cc3ccc(C(F)(F)F)cc3C2)NC(=O)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 16/20 0.54
▸ MMP2 P08253 8/20 0.54
▸ ADAM17 P78536 5/20 0.54
▸ DPP7 Q9UHL4 2/20 0.43
▸ MMP13 P45452 3/20 0.41
▸ MMP14 P50281 1/20 0.39

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
SCHEMBL23745304 1.00 ADAMTS5 (0.54) ADAMTS5MMP2ADAM17DPP7MMP13
SCHEMBL29835177 1.00 ADAMTS5 (0.54) ADAMTS5MMP2ADAM17DPP7MMP13
SCHEMBL31121188 1.00 ADAMTS5 (0.54) ADAMTS5MMP2ADAM17DPP7MMP13
SCHEMBL31121195 1.00 ADAMTS5 (0.54) ADAMTS5MMP2ADAM17DPP7MMP13
SCHEMBL23728091 1.00 ADAMTS5 (0.54) ADAMTS5MMP2ADAM17DPP7MMP13
SCHEMBL23745303 0.84 FAP (0.40) ADAMTS5MMP2ADAM17DPP7
SCHEMBL23745387 0.84 FAP (0.40) ADAMTS5MMP2ADAM17DPP7
SCHEMBL23728089 0.80 ADAMTS5 (0.48) ADAMTS5MMP2ADAM17MMP13MMP14
SCHEMBL23745307 0.80 DPP7 (0.41) ADAMTS5MMP2DPP7
SCHEMBL23728005 0.80 DPP7 (0.41) ADAMTS5MMP2DPP7

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
CN-115052596-B ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-14 — — CN disclosed
CN-115052596-A ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-09-13 — — CN disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — WO disclosed
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