SCHEMBL25899466

SCHEMBL25899466

COC(=O)[C@@H](CCCn1ccc2cc(Br)c(F)cc2c1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 9/20 0.39
▸ PSMB1 P20618 2/20 0.37
▸ PSMB5 P28074 2/20 0.37
▸ AAK1 Q2M2I8 2/20 0.35
▸ PLK1 P53350 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ KLK5 Q9Y337 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ BTK Q06187 1/20 0.34

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
SCHEMBL25320458 0.93 PTPN1 (0.38) TNFPSMB1PSMB5AAK1PLK1
SCHEMBL25320463 0.93 PTPN1 (0.38) TNFPSMB1PSMB5AAK1PLK1
SCHEMBL25318208 0.85 AAK1 (0.36) TNFPSMB1PSMB5AAK1HDAC3
SCHEMBL25318213 0.85 AAK1 (0.36) TNFPSMB1PSMB5AAK1HDAC3
SCHEMBL25322149 0.84 AAK1 (0.38) TNFPSMB1PSMB5AAK1HDAC3
SCHEMBL25322154 0.84 AAK1 (0.38) TNFPSMB1PSMB5AAK1HDAC3
SCHEMBL25320533 0.84 TIPARP (0.40) TNFPSMB1PSMB5AAK1HDAC3
SCHEMBL25320536 0.84 TIPARP (0.40) TNFPSMB1PSMB5AAK1HDAC3
SCHEMBL30550717 0.83 TIPARP (0.46) TNFPSMB1PSMB5PLK1HDAC3
SCHEMBL26782305 0.83 TIPARP (0.46) TNFPSMB1PSMB5PLK1HDAC3

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 TNF 4831/4885PSMB1 1952/4885PSMB5 1412/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 TNF 4831/4885PSMB1 1952/4885PSMB5 1412/4885

“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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