SCHEMBL25146341

SCHEMBL25146341

Cn1c(=O)oc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)OC(C)(C)C)cc3F)cc21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 17/20 0.50
▸ CTSK P43235 4/20 0.42
▸ KCNH2 Q12809 1/20 0.40
▸ CTSS P25774 3/20 0.39

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
SCHEMBL20162066 0.90 CTSC (0.60) CTSCCTSKKCNH2CTSS
SCHEMBL30194946 0.90 CTSC (0.60) CTSCCTSKKCNH2CTSS
SCHEMBL16940311 0.90 CTSC (0.60) CTSCCTSKKCNH2CTSS
SCHEMBL25371156 0.86 CTSC (0.63) CTSCCTSKCTSS
SCHEMBL24981973 0.86 CTSC (0.63) CTSCCTSKCTSS
SCHEMBL24981071 0.84 CTSC (0.53) CTSCCTSKCTSS
SCHEMBL28989356 0.84 CTSC (0.53) CTSCCTSKCTSS
SCHEMBL29455311 0.84 CTSC (0.53) CTSCCTSKCTSS
SCHEMBL30738891 0.84 CTSC (0.54) CTSCCTSKKCNH2CTSS
SCHEMBL24981828 0.83 CTSC (0.57) CTSCKCNH2

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
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-11-07 — — US disclosed
US-20230121807-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF HAISCO PHARMACEUTICALS PTE. LTD (SG) 2023-04-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof DPP4, DPP3, DPP9 CTSC 4/4885CTSK 454/4885KCNH2 4526/4885
US-20230121807-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF DPP4, DPP3, DPP9 CTSC 4/4885CTSK 454/4885KCNH2 4526/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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