SCHEMBL31389005

SCHEMBL31389005

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 7/20 0.40
▸ PSMB5 P28074 7/20 0.40
▸ HTR2C P28335 9/20 0.35
▸ HTR2A P28223 8/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ PSMB2 P49721 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ TNF P01375 3/20 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
SCHEMBL31362947 0.84 HTR2C (0.34) PSMB1PSMB5HTR2CHTR2ACYP1A2
SCHEMBL31362912 0.83 HTR2C (0.42) PSMB1PSMB5HTR2CHTR2ACYP1A2
SCHEMBL31388974 0.82 PSMB1 (0.36) PSMB1PSMB5HTR2CHTR2APSMB2
SCHEMBL25324896 0.80 PSMB1 (0.41) PSMB1PSMB5PSMB2HDAC3HDAC1
SCHEMBL31388970 0.78 HTR2C (0.34) PSMB1PSMB5HTR2CHDAC3HDAC1
SCHEMBL31362923 0.78 PSMB1 (0.38) PSMB1PSMB5HTR2CHTR2ACYP1A2
SCHEMBL25903514 0.77 TNF (0.37) PSMB1PSMB5PSMB2HDAC3HDAC1
SCHEMBL31388966 0.77 AAK1 (0.39) PSMB1PSMB5
SCHEMBL25318429 0.76 AAK1 (0.40) PSMB1PSMB5PSMB2TNF
SCHEMBL25318426 0.76 AAK1 (0.40) PSMB1PSMB5PSMB2TNF

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066328-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2025-02-27 — — US 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 PSMB1 1697/4885PSMB5 1775/4885HTR2C 1573/4885

“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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