SCHEMBL752276

SCHEMBL752276

C[C@H](c1ccc(Oc2ccc(OCC(=O)O)cc2)cc1Cl)[C@@](O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
THRA P10827 3/20 0.36
THRB P10828 3/20 0.36
FFAR1 O14842 2/20 0.35
PPARD Q03181 7/20 0.35
MCL1 Q07820 2/20 0.34
PPARA Q07869 4/20 0.34
PPARG P37231 1/20 0.34
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 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
SCHEMBL734371 1.00 SMN1; SMN2 (0.36) SMN1; SMN2THRATHRBFFAR1PPARD
SCHEMBL732947 0.92 CYP2C19 (0.35) THRATHRBFFAR1PPARDPPARA
SCHEMBL753291 0.92 CYP2C19 (0.35) THRATHRBFFAR1PPARDPPARA
SCHEMBL754452 0.91 MAPT (0.35) FFAR1MCL1MAPT
SCHEMBL733027 0.91 MAPT (0.35) FFAR1MCL1MAPT
SCHEMBL734576 0.90 SMN1; SMN2 (0.40) SMN1; SMN2THRATHRBFFAR1PPARD
SCHEMBL754451 0.90 SMN1; SMN2 (0.40) SMN1; SMN2THRATHRBFFAR1PPARD
SCHEMBL734434 0.89 PTGER4 (0.38) THRATHRBFFAR1
SCHEMBL753038 0.89 PTGER4 (0.38) THRATHRBFFAR1
SCHEMBL734909 0.86 S1PR2 (0.34) THRATHRBFFAR1

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 5 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

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 SMN1; SMN2 4229/4885THRA 57/4885THRB 132/4885

“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.