SCHEMBL29835123

SCHEMBL29835123

O=C1NC(=O)C(CCC(=O)N2Cc3ccc(C(F)(F)F)cc3C2)(c2nccs2)N1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.43
▸ MMP2 P08253 10/20 0.41
▸ MMP13 P45452 8/20 0.40
▸ ADAM17 P78536 8/20 0.40
▸ ADAMTS1 Q9UHI8 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
SCHEMBL23728018 1.00 ADAMTS5 (0.43) ADAMTS5MMP2MMP13ADAM17ADAMTS1
SCHEMBL23745274 0.85 ADAMTS5 (0.41) ADAMTS5MMP2MMP13ADAM17ADAMTS1
SCHEMBL23745270 0.85 ADAMTS5 (0.41) ADAMTS5MMP2MMP13ADAM17ADAMTS1
SCHEMBL23745275 0.85 ADAMTS5 (0.41) ADAMTS5MMP2MMP13ADAM17ADAMTS1
SCHEMBL29835135 0.84 ADAMTS5 (0.58) ADAMTS5MMP2MMP13ADAM17ADAMTS1
SCHEMBL23727860 0.84 ADAMTS5 (0.58) ADAMTS5MMP2MMP13ADAM17ADAMTS1
SCHEMBL23728103 0.82 ADAMTS5 (0.53) ADAMTS5MMP2MMP13ADAM17ADAMTS1
SCHEMBL23745240 0.82 ADAMTS5 (0.53) ADAMTS5MMP2MMP13ADAM17ADAMTS1
SCHEMBL30899243 0.82 ADAMTS5 (0.53) ADAMTS5MMP2MMP13ADAM17ADAMTS1
SCHEMBL31121175 0.82 ADAMTS5 (0.53) ADAMTS5MMP2MMP13ADAM17ADAMTS1

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
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
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