SCHEMBL25907341

SCHEMBL25907341

CC(C)(C)OC(=O)N1CC[C@H](NC(=O)OCc2ccccc2)[C@H]1CC#N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CPB1 P15086 1/20 0.43
PREP P48147 4/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
TSHR P16473 1/20 0.42
PDE4B Q07343 1/20 0.41
KCNA3 P22001 1/20 0.41
KLK7 P49862 1/20 0.41
CTSS P25774 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL25907337 0.89 ALDH1A1 (0.47) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL25320066 0.87 CTSL (0.54) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL25907342 0.86 ALDH1A1 (0.45) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL25066355 0.86 CTSL (0.54) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL26782867 0.85 ALDH1A1 (0.44) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL12836627 0.85 ELANE (0.47) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL17228509 0.85 ALDH1A1 (0.43) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL12836624 0.85 ELANE (0.47) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL31321288 0.84 CPB1 (0.47) CTSKCTSLCTSBALDH1A1GAA
SCHEMBL28833861 0.83 CTSK (0.48) CTSKCTSLCTSBCPB1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 US disclosed
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 EP disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO 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-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 CTSK 2511/4885CTSL 3514/4885CTSB 3055/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 CTSK 2511/4885CTSL 3514/4885CTSB 3055/4885

“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.