SCHEMBL13675371

SCHEMBL13675371

CC(C)(C)c1ccc(CC(F)(F)F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
EPHX2 P34913 3/20 0.40
NR1H4 Q96RI1 2/20 0.40
ALOX5AP P20292 1/20 0.37
KIF11 P52732 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 2/20 0.36
CYP2D6 P10635 1/20 0.36
HTR1D P28221 3/20 0.35
DAO P14920 1/20 0.35
PDE2A O00408 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL18701033 0.86 CYP1A2 (0.43) IDO1CYP1A2CYP2C19EPHX2NR1H4
SCHEMBL20820505 0.83 EPHX2 (0.42) IDO1CYP1A2CYP2C19EPHX2NR1H4
SCHEMBL19841845 0.80 KCNH2 (0.39) IDO1CYP1A2CYP2C19EPHX2NR1H4
SCHEMBL10162939 0.80 EPHX2 (0.45) IDO1CYP1A2CYP2C19EPHX2NR1H4
SCHEMBL13073947 0.79 CYP1A2 (0.41) CYP1A2CYP2C19KIF11ALDH1A1HPGD
SCHEMBL21376383 0.79 TAAR1 (0.40) IDO1CYP1A2CYP2C19EPHX2NR1H4
SCHEMBL14297625 0.78 EPHX2 (0.44) IDO1CYP1A2CYP2C19EPHX2NR1H4
SCHEMBL6644304 0.78 PON1 (0.45) IDO1CYP1A2CYP2C19EPHX2NR1H4
SCHEMBL13619369 0.78 IDO1 (0.43) IDO1CYP1A2CYP2C19EPHX2NR1H4
SCHEMBL21184908 0.77 CYP1A2 (0.34) IDO1CYP1A2CYP2C19EPHX2NR1H4

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-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-10-22 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-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD IDO1 3838/4885CYP1A2 1800/4885CYP2C19 1560/4885

“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.