SCHEMBL23745362

SCHEMBL23745362

O=C1NC(=O)[C@](C[C@@H](CO)C(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)N1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.45
▸ MMP2 P08253 9/20 0.45
▸ MMP13 P45452 8/20 0.44
▸ ADAM17 P78536 7/20 0.44
▸ MMP14 P50281 4/20 0.42
▸ ADAMTS4 O75173 2/20 0.40
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL29250254 1.00 ADAMTS5 (0.45) ADAMTS5MMP2MMP13ADAM17MMP14
SCHEMBL29250252 1.00 ADAMTS5 (0.45) ADAMTS5MMP2MMP13ADAM17MMP14
SCHEMBL29250264 1.00 ADAMTS5 (0.45) ADAMTS5MMP2MMP13ADAM17MMP14
SCHEMBL23745370 1.00 ADAMTS5 (0.45) ADAMTS5MMP2MMP13ADAM17MMP14
SCHEMBL23745372 1.00 ADAMTS5 (0.45) ADAMTS5MMP2MMP13ADAM17MMP14
SCHEMBL23745369 1.00 ADAMTS5 (0.45) ADAMTS5MMP2MMP13ADAM17MMP14
SCHEMBL23727308 0.91 ADAMTS5 (0.51) ADAMTS5MMP2MMP13ADAM17MMP14
SCHEMBL23727863 0.85 ADAMTS5 (0.48) ADAMTS5MMP2MMP13ADAM17MMP14
SCHEMBL24182495 0.81 ADAMTS5 (0.48) ADAMTS5MMP2MMP13ADAM17MMP14
SCHEMBL23745400 0.81 ADAMTS5 (0.56) ADAMTS5MMP2MMP13ADAM17MMP14

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 4 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
EP-4100005-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2022-12-14 — — EP 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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