SCHEMBL23745205

SCHEMBL23745205

C[C@@H](C[C@]1(C2CC2)NC(=O)NC1=O)C(=O)N1Cc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 19/20 0.59
▸ MMP13 P45452 10/20 0.58
▸ MMP2 P08253 10/20 0.58
▸ ADAM17 P78536 5/20 0.58
▸ ADAMTS4 O75173 4/20 0.56
▸ MMP14 P50281 4/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ MMP3 P08254 2/20 0.53
▸ MMP12 P39900 2/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ DPP7 Q9UHL4 1/20 0.50

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
SCHEMBL31121172 1.00 ADAMTS5 (0.59) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL23745283 1.00 ADAMTS5 (0.59) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL23745208 1.00 ADAMTS5 (0.59) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL31121170 1.00 ADAMTS5 (0.59) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL23745210 1.00 ADAMTS5 (0.59) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL23728086 1.00 ADAMTS5 (0.59) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL23745286 1.00 ADAMTS5 (0.59) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL23745207 1.00 ADAMTS5 (0.59) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL31121196 1.00 ADAMTS5 (0.59) ADAMTS5MMP13MMP2ADAM17ADAMTS4
SCHEMBL30013188 1.00 ADAMTS5 (0.59) ADAMTS5MMP13MMP2ADAM17ADAMTS4

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
Send feedback