SCHEMBL754909

SCHEMBL754909

C[C@@H](c1ccc(-c2ccc(CC(=O)O)cc2)cc1Cl)[C@](O)(c1ccc(=O)[nH]c1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.40
RXRG P48443 13/20 0.40
RXRB P28702 13/20 0.40
PPARD Q03181 2/20 0.37
PTGS2 P35354 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
DGAT1 O75907 1/20 0.34
PDE2A O00408 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
SCHEMBL480019 1.00 RXRA (0.40) RXRARXRGRXRBPPARDPTGS2
SCHEMBL479944 0.88 RXRA (0.39) RXRARXRGRXRBPPARDPTGS2
SCHEMBL479974 0.86 AR (0.35) RXRARXRGRXRBPDE2A
SCHEMBL753062 0.85 PDK2 (0.36) RXRARXRBPDE2A
SCHEMBL479995 0.85 PDK2 (0.36) RXRARXRBPDE2A
SCHEMBL752284 0.85 PRKAB2 (0.34) RXRARXRBPDE2A
SCHEMBL480080 0.85 PRKAB2 (0.34) RXRARXRBPDE2A
SCHEMBL754464 0.85 GRIK1 (0.38) PDE2A
SCHEMBL479836 0.85 GRIK1 (0.38) PDE2A
SCHEMBL15789769 0.83 PDE2A (0.33) PDE2A

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 RXRA 584/4885RXRG 979/4885RXRB 917/4885

“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.