SCHEMBL30738953

SCHEMBL30738953

[2H]C([2H])([2H])n1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)C4CN(C(=O)OC(C)(C)C)C4)c(F)c3)cc21

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.57
▸ CTSK P43235 8/20 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
SCHEMBL30738881 0.95 CTSC (0.63) CTSCCTSK
SCHEMBL29455307 0.88 CTSC (0.53) CTSCCTSK
SCHEMBL30738925 0.88 CTSC (0.43) CTSCCTSK
SCHEMBL30987049 0.88 CTSC (0.58) CTSCCTSK
SCHEMBL29455306 0.87 CTSC (0.57) CTSCCTSK
SCHEMBL30738947 0.85 CTSC (0.61) CTSC
SCHEMBL30738946 0.85 CTSC (0.61) CTSC
SCHEMBL30738949 0.85 CTSC (0.61) CTSC
SCHEMBL30738938 0.84 CTSC (0.54) CTSCCTSK
Trifluoroacetic Acid SCHEMBL30738952 0.83 CTSC (0.61) CTSCCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561565-A2 NOVEL DPP1 INHIBITORS AND USES THEREOF Insmed Incorporated (US) 2025-06-04 — — EP disclosed
WO-2024026433-A2 NOVEL DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-02-01 — — WO disclosed
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