SCHEMBL18616528

SCHEMBL18616528

CS(=O)(=O)Nc1ccc(-c2ccc3cc(C(=O)NC4(C(=O)NC5(C#N)CC5)CCC(F)(F)CC4)oc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.37
▸ MMP2 P08253 3/20 0.36
▸ NAMPT P43490 1/20 0.34
▸ CTSK P43235 8/20 0.34
▸ CTSS P25774 7/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ CTSB P07858 3/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ MMP13 P45452 3/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ ADAMTS4 O75173 1/20 0.32

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
SCHEMBL18615942 0.90 CTSK (0.41) CTSLCTSKCTSSCTSB
SCHEMBL18616629 0.89 CTSL (0.37) CTSLCTSKCTSSCTSB
SCHEMBL18615967 0.88 MAPK14 (0.35) CTSLMAPK14
SCHEMBL20341828 0.88 CTSL (0.37) CTSLCTSKCTSSCTSB
SCHEMBL18616541 0.86 CTSK (0.42) CTSLCTSKCTSSCTSB
SCHEMBL18615975 0.86 CTSL (0.35) CTSLCTSKCTSSCTSB
SCHEMBL20341764 0.86 CTSL (0.38) CTSLCTSKCTSSCTSB
SCHEMBL20341771 0.86 CTSL (0.38) CTSLCTSKCTSSCTSB
SCHEMBL23810283 0.85 CTSL (0.38) CTSLCTSKCTSSCTSB
SCHEMBL18615857 0.85 CTSK (0.41) CTSLCTSKCTSSCTSB

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
EP-3342765-B1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2021-09-15 — — EP disclosed
EP-3342765-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-07-04 — — EP disclosed
WO-2017036357-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF 广东东阳光药业有限公司 2017-03-09 — — WO disclosed
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