SCHEMBL22059482

SCHEMBL22059482

CC(C)C(=O)NCc1ccc(C(=O)O)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.59
ERCC4 Q92889 2/20 0.59
NR1H4 Q96RI1 2/20 0.58
EPHX2 P34913 1/20 0.58
CARM1 Q86X55 2/20 0.48
PRMT6 Q96LA8 2/20 0.48
SMO Q99835 1/20 0.47
PTGES O14684 8/20 0.46
RXRA P19793 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL14368078 0.86 ERCC1 (0.64) ERCC1ERCC4CARM1PRMT6SMO
SCHEMBL22060008 0.85 NR1H4 (0.59) ERCC1ERCC4NR1H4EPHX2CARM1
SCHEMBL22060011 0.84 NR1H4 (0.59) ERCC1ERCC4NR1H4PTGES
SCHEMBL14573639 0.83 ERCC1 (0.60) ERCC1ERCC4CARM1PRMT6SMO
SCHEMBL9931138 0.82 PTGES (0.61) ERCC1ERCC4NR1H4EPHX2SMO
SCHEMBL14782824 0.81 PTGES (0.59) ERCC1ERCC4NR1H4PTGES
SCHEMBL29463256 0.81 PTGES (0.59) ERCC1ERCC4NR1H4PTGES
SCHEMBL13103587 0.79 ERCC1 (0.54) ERCC1ERCC4CARM1PRMT6SMO
SCHEMBL14368077 0.79 ERCC1 (0.59) ERCC1ERCC4PTGES
SCHEMBL12131750 0.78 ERCC1 (0.70) ERCC1ERCC4

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-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE JOHANN WOLFGANG GOETHE-UNIVERSITAET FRANKFURT AM MAIN (DE) 2020-06-04 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-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE NR1H4, NR1H3, NR1H2 ERCC1 2685/4885ERCC4 1558/4885NR1H4 1/4885

“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.