SCHEMBL25319652

SCHEMBL25319652

CC(C)(C)OC(=O)NC(CC#N)CCCO

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.48
CTSK P43235 14/20 0.48
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 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
SCHEMBL25319648 1.00 CTSS (0.48) CTSSCTSKCTSLCTSBTDP1
SCHEMBL8357414 0.88 CTSK (0.61) CTSSCTSK
SCHEMBL21536097 0.86 CTSS (0.46) CTSSCTSKCTSLCTSBTDP1
SCHEMBL16286150 0.86 MEN1 (0.56) CTSSCTSKCTSLCTSBTDP1
SCHEMBL12602587 0.85 CTSK (0.59) CTSSCTSKCTSLCTSBCA1
SCHEMBL4795003 0.84 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL4795008 0.84 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL11043865 0.83 CTSK (0.44) CTSSCTSKCTSLCTSB
SCHEMBL2296898 0.83 TDP1 (0.49) CTSSCTSKTDP1CA1CA2
SCHEMBL24311830 0.83 TDP1 (0.49) CTSSCTSKTDP1CA1CA2

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 4 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
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 CTSS 3101/4885CTSK 2511/4885CTSL 3514/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 CTSS 3101/4885CTSK 2511/4885CTSL 3514/4885

“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.