SCHEMBL18615975

SCHEMBL18615975

CS(=O)(=O)COc1ccc(-c2ccc3cc(C(=O)NC4(C(=O)NC5(C#N)CC5)CCC(F)(F)CC4)oc3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 8/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CTSK P43235 11/20 0.34
▸ CTSS P25774 10/20 0.34
▸ CTSB P07858 4/20 0.33
▸ GAA P10253 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL18615947 0.92 LMNA (0.35) CTSLCYP2D6CTSKCTSSCTSB
SCHEMBL18616629 0.90 CTSL (0.37) CTSLCTSKCTSSCTSB
SCHEMBL18617423 0.90 NAMPT (0.35) CTSLCYP2D6CTSKCTSSCTSB
SCHEMBL20341792 0.89 CTSL (0.36) CTSLCYP2D6CTSKCTSSCTSB
SCHEMBL18616018 0.89 LMNA (0.37) CTSLCYP2D6CTSKCTSSCTSB
SCHEMBL18615942 0.87 CTSK (0.41) CTSLCTSKCTSSCTSB
SCHEMBL23810230 0.87 CTSL (0.34) CTSLCYP2D6CTSKCTSSCTSB
SCHEMBL18615946 0.87 CACNA1H (0.40) CTSLCYP2D6CTSKCTSSPOLB
SCHEMBL20341794 0.86 CTSL (0.34) CTSLCTSKCTSSCTSBGAA
SCHEMBL18616528 0.86 CTSL (0.37) 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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