SCHEMBL25320463

SCHEMBL25320463

CC(C)(C)OC(=O)NC(CCCn1ccc2cc(Br)c(F)cc2c1=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TNF P01375 3/20 0.37
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ PSMB1 P20618 2/20 0.36
▸ PSMB5 P28074 2/20 0.36
▸ CTSK P43235 3/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ PLK1 P53350 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ IDO1 P14902 1/20 0.35

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 1.00 PTPN1 (0.38) PTPN1ALDH1A1TSHRTNFITGA4
SCHEMBL25899466 0.93 TNF (0.39) TNFPSMB1PSMB5AAK1PLK1
SCHEMBL25318213 0.85 AAK1 (0.36) TNFPSMB1PSMB5AAK1
SCHEMBL25318208 0.85 AAK1 (0.36) TNFPSMB1PSMB5AAK1
SCHEMBL25322149 0.84 AAK1 (0.38) TNFPSMB1PSMB5AAK1
SCHEMBL25322154 0.84 AAK1 (0.38) TNFPSMB1PSMB5AAK1
SCHEMBL25320533 0.84 TIPARP (0.40) TNFPSMB1PSMB5AAK1
SCHEMBL25320536 0.84 TIPARP (0.40) TNFPSMB1PSMB5AAK1
SCHEMBL25321393 0.82 TIPARP (0.46) PTPN1ITGA4ITGB7P2RX3PLK1
SCHEMBL25321386 0.82 TIPARP (0.46) PTPN1ITGA4ITGB7P2RX3PLK1

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-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 (1 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-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 PTPN1 4396/4885ALDH1A1 1171/4885TSHR 4640/4885

“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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