SCHEMBL22059614

SCHEMBL22059614

CC(C)c1ccc(NC(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.48
▸ NPY5R Q15761 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ RORC P51449 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPT P10636 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
SCHEMBL27495410 0.82 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19L3MBTL1NPY5R
SCHEMBL19366192 0.81 RORC (0.60) L3MBTL1EPHX2SMN1; SMN2GAARORC
SCHEMBL2123696 0.81 EPHX1 (0.46) EPHX2SMN1; SMN2RORCMEN1LMNA
SCHEMBL4403329 0.80 EPHX1 (0.63) CYP1A2CYP2C9CYP2C19L3MBTL1EPHX2
SCHEMBL16621003 0.80 SMN1; SMN2 (0.60) CYP1A2CYP2C9CYP2C19L3MBTL1EPHX2
SCHEMBL22166698 0.79 CYP1A2 (0.71) CYP1A2CYP2C9CYP2C19L3MBTL1NPY5R
SCHEMBL10615069 0.79 MEN1 (0.62) GAARORCMEN1LMNAKMT2A
SCHEMBL9633496 0.78 SMN1; SMN2 (0.47) EPHX2SMN1; SMN2RORCLMNAMAPT
SCHEMBL11097805 0.77 KIF11 (0.54) CYP1A2CYP2C9CYP2C19L3MBTL1NPY5R
SCHEMBL13602467 0.77 L3MBTL1 (0.54) CYP1A2CYP2C9CYP2C19L3MBTL1EPHX2

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 CYP1A2 274/4885CYP2C9 712/4885CYP2C19 1035/4885

“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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