SCHEMBL732702

SCHEMBL732702

CC(c1ccc(-c2ccc(CC(=O)O)cc2)cc1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.41
RXRB P28702 13/20 0.41
RXRG P48443 11/20 0.39
PTGS2 P35354 1/20 0.39
PPARD Q03181 2/20 0.36
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
ENPP2 Q13822 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL753293 1.00 RXRA (0.41) RXRARXRBRXRGPTGS2PPARD
SCHEMBL734576 0.88 SMN1; SMN2 (0.40) RXRARXRBRXRGPPARD
SCHEMBL754451 0.88 SMN1; SMN2 (0.40) RXRARXRBRXRGPPARD
SCHEMBL732088 0.86 AR (0.35) RXRARXRBRXRGDPP4DPP7
SCHEMBL734223 0.86 PDK2 (0.36) RXRARXRBDPP4DPP7
SCHEMBL755587 0.86 PDK2 (0.36) RXRARXRBDPP4DPP7
SCHEMBL755583 0.85 DPP4 (0.34) RXRARXRBDPP4DPP7
SCHEMBL732428 0.85 DPP4 (0.34) RXRARXRBDPP4DPP7
SCHEMBL753053 0.85 GRIK1 (0.35) DPP4DPP7
SCHEMBL732991 0.85 GRIK1 (0.35) DPP4DPP7

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 claimed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
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-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 RXRA 584/4885RXRB 917/4885RXRG 979/4885

“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.