SCHEMBL29250232

SCHEMBL29250232

O=C1NC(=O)[C@](CCC(=O)N2Cc3cc(F)c(C(F)F)cc3C2)(C2CC2)N1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.57
▸ MMP13 P45452 2/20 0.57
▸ MMP2 P08253 4/20 0.55
▸ ADAMTS4 O75173 1/20 0.55
▸ MMP14 P50281 1/20 0.55
▸ ADAM17 P78536 1/20 0.53

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
SCHEMBL29250234 1.00 ADAMTS5 (0.57) ADAMTS5MMP13MMP2ADAMTS4MMP14
SCHEMBL29835200 1.00 ADAMTS5 (0.57) ADAMTS5MMP13MMP2ADAMTS4MMP14
SCHEMBL23745406 0.92 ADAMTS5 (0.66) ADAMTS5MMP13MMP2ADAMTS4MMP14
SCHEMBL29835132 0.86 ADAMTS5 (0.57) ADAMTS5MMP13MMP2ADAMTS4ADAM17
SCHEMBL29250236 0.86 ADAMTS5 (0.57) ADAMTS5MMP13MMP2ADAMTS4ADAM17
SCHEMBL29250237 0.86 ADAMTS5 (0.57) ADAMTS5MMP13MMP2ADAMTS4ADAM17
SCHEMBL23745294 0.85 ADAMTS5 (0.56) ADAMTS5MMP13MMP2ADAMTS4MMP14
SCHEMBL23745412 0.84 ADAMTS5 (0.65) ADAMTS5MMP13MMP2ADAMTS4MMP14
SCHEMBL29250243 0.84 ADAMTS5 (0.53) ADAMTS5MMP13MMP2ADAMTS4ADAM17
SCHEMBL23727487 0.83 ADAMTS5 (0.65) ADAMTS5MMP13MMP2ADAMTS4MMP14

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
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
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