SCHEMBL31362899

SCHEMBL31362899

COC(=O)[C@H](F)C[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA12 O43570 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ CTSK P43235 8/20 0.40
▸ CTSS P25774 4/20 0.40
▸ CTSL P07711 2/20 0.40
▸ CTSB P07858 1/20 0.40
▸ APLNR P35414 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KLK5 Q9Y337 1/20 0.36
▸ CAPN1 P07384 1/20 0.36

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
SCHEMBL13224554 0.84 CTSK (0.43) CA1CA2CA7CA12CA14
SCHEMBL22404434 0.83 CA1 (0.47) CA1CA2CA7CA12CA14
SCHEMBL13832930 0.81 PPARA (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL902049 0.79 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL19021911 0.79 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL31388980 0.79 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL25231724 0.78 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL22337395 0.78 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL25278428 0.78 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL13744904 0.78 CA1 (0.51) CA1CA2CA7CYP2D6CTSK

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 CA1 4582/4885CA2 4202/4885CA7 268/4885

“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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