SCHEMBL753132

SCHEMBL753132

C[C@@H](c1ccc(OC(C)(C)C(=O)O)c(Cl)c1Cl)[C@](O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.34
PPARA Q07869 12/20 0.34
PPARG P37231 8/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.32
DPP4 P27487 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
MET P08581 1/20 0.31
ALK Q9UM73 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL733521 1.00 PPARD (0.34) PPARDPPARAPPARGPTGDR2DPP4
SCHEMBL480697 0.89 FBP1 (0.36) PPARACYP1A2CYP3A4MAPT
SCHEMBL753378 0.89 FBP1 (0.36) PPARACYP1A2CYP3A4MAPT
SCHEMBL480727 0.86 MET (0.31) METALKKMT2A
SCHEMBL754530 0.82 PTGER4 (0.34)
SCHEMBL735051 0.80 AR (0.30) DPP4DPP7
SCHEMBL15789689 0.80 MET (0.30) METALK
SCHEMBL1414773 0.80 SCN8A (0.34) METALKKMT2A
SCHEMBL733103 0.79 SCN8A (0.35) PPARDPPARAPPARGMETALK
SCHEMBL755659 0.79 SCN8A (0.35) PPARDPPARAPPARGMETALK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 PPARD 813/4885PPARA 767/4885PPARG 1039/4885

“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.