SCHEMBL25146469

SCHEMBL25146469

COc1cc(-c2ccc3oc(=O)n(C)c3c2)ccc1C[C@@H](C#N)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 15/20 0.51
▸ CTSK P43235 3/20 0.44
▸ CTSS P25774 2/20 0.38
▸ CTSB P07858 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL29455300 1.00 CTSC (0.51) CTSCCTSKCTSSCTSBKCNH2
SCHEMBL28989401 1.00 CTSC (0.51) CTSCCTSKCTSSCTSBKCNH2
SCHEMBL25371156 0.89 CTSC (0.63) CTSCCTSKCTSS
SCHEMBL24981973 0.89 CTSC (0.63) CTSCCTSKCTSS
SCHEMBL20162066 0.87 CTSC (0.60) CTSCCTSKCTSSCTSBKCNH2
SCHEMBL30194946 0.87 CTSC (0.60) CTSCCTSKCTSSCTSBKCNH2
SCHEMBL16940311 0.87 CTSC (0.60) CTSCCTSKCTSSCTSBKCNH2
SCHEMBL24981554 0.84 CTSC (0.46) CTSCCTSKKCNH2
SCHEMBL28989792 0.84 CTSC (0.46) CTSCCTSKKCNH2
SCHEMBL29455313 0.84 CTSC (0.46) CTSCCTSKKCNH2

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 454/4885CTSS 292/4885
US-20230121807-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF DPP4, DPP3, DPP9 CTSC 4/4885CTSK 454/4885CTSS 292/4885

“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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