SCHEMBL21990340

SCHEMBL21990340

CC(C)(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 1.00
NR1H4 Q96RI1 13/20 1.00
PPARG P37231 1/20 1.00

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
SCHEMBL22059489 0.90 EPHX2 (0.82) EPHX2NR1H4PPARG
SCHEMBL22060068 0.90 EPHX2 (1.00) EPHX2NR1H4PPARG
SCHEMBL22060075 0.88 EPHX2 (1.00) EPHX2NR1H4PPARG
SCHEMBL28364517 0.87 EPHX2 (0.83) EPHX2NR1H4PPARG
SCHEMBL22059484 0.86 EPHX2 (0.75) EPHX2NR1H4PPARG
SCHEMBL22059490 0.86 EPHX2 (0.75) EPHX2NR1H4PPARG
SCHEMBL22060076 0.85 EPHX2 (1.00) EPHX2NR1H4PPARG
SCHEMBL21990335 0.85 EPHX2 (0.79) EPHX2NR1H4PPARG
SCHEMBL20287493 0.84 EPHX2 (0.73) EPHX2NR1H4PPARG
SCHEMBL29598294 0.84 EPHX2 (0.73) EPHX2NR1H4PPARG

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 3 patents. 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
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
CN-110891560-A Dual modulators of farnesoid X receptor and soluble epoxide hydrolase 法兰克福大学 2020-03-17 CN 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 EPHX2 6/4885NR1H4 1/4885PPARG 137/4885

“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.