SCHEMBL25321362

SCHEMBL25321362

C[C@@H](CCCn1ccc2cc(Br)cc(F)c2c1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 11/20 0.41
▸ FPR2 P25090 1/20 0.35
▸ PSMB1 P20618 2/20 0.33
▸ PSMB5 P28074 2/20 0.33
▸ ACACB O00763 1/20 0.33
▸ TIPARP Q7Z3E1 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL25321367 1.00 AAK1 (0.41) AAK1FPR2PSMB1PSMB5ACACB
SCHEMBL30550799 0.84 PSMB1 (0.42) AAK1PSMB1PSMB5HDAC3HDAC1
SCHEMBL25321479 0.84 PSMB1 (0.42) AAK1PSMB1PSMB5HDAC3HDAC1
SCHEMBL25321476 0.84 PSMB1 (0.42) AAK1PSMB1PSMB5HDAC3HDAC1
SCHEMBL25898525 0.78 HTR2C (0.40) PSMB1PSMB5TIPARPHDAC3HDAC1
SCHEMBL30550679 0.76 ACACB (0.33) ACACBTIPARP
SCHEMBL25323968 0.76 ACACB (0.33) ACACBTIPARP
SCHEMBL25320458 0.73 PTPN1 (0.38) AAK1PSMB1PSMB5
SCHEMBL25320463 0.73 PTPN1 (0.38) AAK1PSMB1PSMB5
SCHEMBL25899466 0.73 TNF (0.39) AAK1PSMB1PSMB5SCN9AHDAC3

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 5 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

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 AAK1 2312/4885FPR2 4319/4885PSMB1 1952/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 AAK1 2312/4885FPR2 4319/4885PSMB1 1952/4885

“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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