SCHEMBL21773498

SCHEMBL21773498

CC(C)C(=O)C(CC(F)=CCNC(=O)O)C(=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL21773496 1.00 CYP2D6 (0.34) CYP2D6CYP2C19
SCHEMBL21773508 0.83 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL20488841 0.83 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL21791605 0.79 MEN1 (0.36) CYP2D6
SCHEMBL28351352 0.79 MEN1 (0.36) CYP2D6
SCHEMBL2923217 0.70 CYP2D6 (0.30) CYP2D6CYP2C19
SCHEMBL2923221 0.70 CYP2D6 (0.30) CYP2D6CYP2C19
SCHEMBL21814722 0.70 CYP2D6 (0.30) CYP2D6CYP2C19
SCHEMBL21773561 0.69 ALOX15 (0.31) —
SCHEMBL20489148 0.69 ALOX15 (0.31) —

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-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-03-05 — — 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-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF LOX, DAO, AADAC CYP2D6 1240/4885CYP2C19 465/4885

“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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