SCHEMBL23745400

SCHEMBL23745400

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 20/20 0.56
▸ ADAM17 P78536 3/20 0.56
▸ MMP13 P45452 4/20 0.55
▸ MMP2 P08253 4/20 0.53
▸ ADAMTS4 O75173 2/20 0.53
▸ ADAMTS1 Q9UHI8 1/20 0.53
▸ MMP1 P03956 1/20 0.51
▸ MMP12 P39900 1/20 0.51
▸ MMP14 P50281 1/20 0.51

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
SCHEMBL23727486 0.90 ADAMTS5 (0.65) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23727487 0.90 ADAMTS5 (0.65) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745294 0.89 ADAMTS5 (0.56) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745235 0.88 ADAMTS5 (0.52) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745258 0.86 ADAMTS5 (0.49) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745216 0.85 ADAMTS5 (0.61) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745236 0.85 ADAMTS5 (0.59) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745241 0.85 ADAMTS5 (0.59) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745364 0.85 ADAMTS5 (0.40) ADAMTS5ADAM17MMP13MMP2ADAMTS4
SCHEMBL23745406 0.83 ADAMTS5 (0.66) ADAMTS5ADAM17MMP13MMP2ADAMTS4

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 7 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-117136051-A Prodrugs of ADAMTS inhibitors, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-11-28 — — CN disclosed
EP-4100005-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2022-12-14 — — EP disclosed
WO-2022212638-A1 PRODRUGS OF ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2022-10-06 — — WO disclosed
WO-2022212638-A1 PRODRUGS OF ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2022-10-06 — — WO 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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