SCHEMBL31362947

SCHEMBL31362947

N[C@@H](CO)C[C@@H](F)Cn1ccc2cc(Br)c(F)cc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.34
▸ HTR2A P28223 8/20 0.34
▸ PSMB1 P20618 3/20 0.33
▸ PSMB5 P28074 3/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HTR2B P41595 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
SCHEMBL31389005 0.84 PSMB1 (0.40) HTR2CHTR2APSMB1PSMB5CYP1A2
SCHEMBL25320565 0.81 TNF (0.37) PSMB1PSMB5
SCHEMBL30550902 0.81 TNF (0.37) PSMB1PSMB5
SCHEMBL25320560 0.81 TNF (0.37) PSMB1PSMB5
SCHEMBL31362912 0.79 HTR2C (0.42) HTR2CHTR2APSMB1PSMB5CYP1A2
SCHEMBL31388966 0.77 AAK1 (0.39) PSMB1PSMB5
SCHEMBL25903514 0.73 TNF (0.37) PSMB1PSMB5
SCHEMBL31388970 0.72 HTR2C (0.34) HTR2CPSMB1PSMB5
SCHEMBL25321281 0.72 PSMB1 (0.43) HTR2CHTR2APSMB1PSMB5CYP1A2
SCHEMBL25321285 0.72 PSMB1 (0.43) HTR2CHTR2APSMB1PSMB5CYP1A2

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 HTR2C 1573/4885HTR2A 2421/4885PSMB1 1697/4885

“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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