SCHEMBL30550878

SCHEMBL30550878

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 9/20 0.42
▸ AAK1 Q2M2I8 2/20 0.41
▸ PSMB5 P28074 6/20 0.37
▸ PSMB1 P20618 5/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PSMB2 P49721 4/20 0.35
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL25318628 0.88 TNF (0.41) TNFPSMB5PSMB1HDAC3HDAC1
SCHEMBL30550660 0.82 TNF (0.38) TNFAAK1PSMB5PSMB1HDAC3
SCHEMBL25899466 0.81 TNF (0.39) TNFAAK1PSMB5PSMB1HDAC3
SCHEMBL25320463 0.81 PTPN1 (0.38) TNFAAK1PSMB5PSMB1
SCHEMBL25320458 0.81 PTPN1 (0.38) TNFAAK1PSMB5PSMB1
SCHEMBL25318213 0.79 AAK1 (0.36) TNFAAK1PSMB5PSMB1HDAC3
SCHEMBL25318208 0.79 AAK1 (0.36) TNFAAK1PSMB5PSMB1HDAC3
SCHEMBL25322149 0.79 AAK1 (0.38) TNFAAK1PSMB5PSMB1HDAC3
SCHEMBL25322154 0.79 AAK1 (0.38) TNFAAK1PSMB5PSMB1HDAC3
SCHEMBL25320533 0.78 TIPARP (0.40) TNFAAK1PSMB5PSMB1HDAC3

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 TNF 4831/4885AAK1 2312/4885PSMB5 1412/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 TNF 4831/4885AAK1 2312/4885PSMB5 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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