SCHEMBL755581

SCHEMBL755581

C[C@@H](c1ccc(OCc2ccc(CC(=O)O)cc2)cc1Cl)[C@](O)(c1cccc2cnccc12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NR1H4 Q96RI1 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
FFAR1 O14842 2/20 0.38
SUCNR1 Q9BXA5 1/20 0.37
TRPV1 Q8NER1 3/20 0.37
CYP26A1 O43174 1/20 0.37
CYP3A4 P08684 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL480008 1.00 PPARD (0.41) PPARDNR1H2NR1H3PPARGPPARA
SCHEMBL753267 0.93 MRGPRX4 (0.42) NR1H2NR1H3NR1H4SMN1; SMN2FFAR1
SCHEMBL480023 0.93 MRGPRX4 (0.42) NR1H2NR1H3NR1H4SMN1; SMN2FFAR1
SCHEMBL480162 0.92 LMNA (0.41) NR1H2NR1H3FFAR1TRPV1CYP26A1
SCHEMBL479608 0.89 MAOB (0.42) NR1H2NR1H3SMN1; SMN2FFAR1TRPV1
SCHEMBL754898 0.89 MAOB (0.42) NR1H2NR1H3SMN1; SMN2FFAR1TRPV1
SCHEMBL734642 0.82 ALDH1A1 (0.37) SMN1; SMN2TRPV1CYP3A4
SCHEMBL480028 0.82 P2RX7 (0.36) SMN1; SMN2SUCNR1TRPV1PDE4APDE4C
SCHEMBL479859 0.80 SMN1; SMN2 (0.42) PPARDNR1H2NR1H3PPARGPPARA
SCHEMBL754449 0.80 SMN1; SMN2 (0.42) PPARDNR1H2NR1H3PPARGPPARA

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 813/4885NR1H2 89/4885NR1H3 113/4885

“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.