SCHEMBL23772017

SCHEMBL23772017

COc1c(F)ccc(C(C)(C)C)c1C(C)(C)SC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
PTGS1 P23219 1/20 0.31
PTGS2 P35354 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
SCHEMBL23771981 0.84 ALOX5AP (0.39) ALOX5APFEN1PTGS2
SCHEMBL19154840 0.74 ALOX5AP (0.43) ALOX5APFEN1PTGS2
SCHEMBL18897440 0.71 FEN1 (0.50) ALOX5APFEN1PTGS2
SCHEMBL22023979 0.69 NFE2L2 (0.40)
SCHEMBL26844077 0.68 ALOX5AP (0.41) ALOX5APFEN1PTGS2
SCHEMBL13310501 0.67 CA2 (0.41) ALOX5APFEN1
SCHEMBL24863996 0.67 ALOX5AP (0.43) ALOX5APFEN1PTGS2
SCHEMBL25791648 0.66 FEN1 (0.53) ALOX5APFEN1PTGS2
SCHEMBL9873091 0.66 KDM4E (0.43) PTGS2
SCHEMBL22043270 0.66 TAAR1 (0.41)

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-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 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-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HMBS ALOX5AP 3409/4885FEN1 1584/4885PTGS1 3956/4885

“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.