SCHEMBL31362889

SCHEMBL31362889

COC(C[C@H](C)NC(=O)OC(C)(C)C)Cn1ccc2cc(Br)c(F)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 7/20 0.37
▸ PSMB1 P20618 7/20 0.37
▸ PSMB5 P28074 6/20 0.37
▸ PSMB2 P49721 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ FPR2 P25090 1/20 0.31

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
SCHEMBL25318429 0.89 AAK1 (0.40) AAK1PSMB1PSMB5PSMB2TRPA1
SCHEMBL31058394 0.89 AAK1 (0.40) AAK1PSMB1PSMB5PSMB2TRPA1
SCHEMBL25318426 0.89 AAK1 (0.40) AAK1PSMB1PSMB5PSMB2TRPA1
SCHEMBL31058397 0.89 AAK1 (0.35) AAK1PSMB1PSMB5FPR2
SCHEMBL25321749 0.89 AAK1 (0.35) AAK1PSMB1PSMB5FPR2
SCHEMBL25321744 0.89 AAK1 (0.35) AAK1PSMB1PSMB5FPR2
SCHEMBL31058404 0.83 PSMB1 (0.40) AAK1PSMB1PSMB5PSMB2KDM4E
SCHEMBL25319637 0.83 PSMB1 (0.40) AAK1PSMB1PSMB5PSMB2KDM4E
SCHEMBL25319630 0.83 PSMB1 (0.40) AAK1PSMB1PSMB5PSMB2KDM4E
SCHEMBL31388966 0.81 AAK1 (0.39) AAK1PSMB1PSMB5

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-20250066328-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2025-02-27 — — US disclosed
WO-2025024663-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2025-01-30 — — 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-20250066328-A1 PARP7 INHIBITORS PARP1, PARP2, PARP8 AAK1 2461/4885PSMB1 1697/4885PSMB5 1775/4885

“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.

Send feedback