SCHEMBL479751

SCHEMBL479751

Cc1cnc(C(O)(C(C)c2ccc(OCc3ccc(CC(=O)O)cc3)cc2Cl)C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PPARD Q03181 7/20 0.39
NR1H4 Q96RI1 5/20 0.39
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
NR1H2 P55055 4/20 0.36
NR1H3 Q13133 4/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL754282 1.00 FFAR1 (0.42) FFAR1PTGDR2SMN1; SMN2RXRARXRB
SCHEMBL733547 0.92 RXRA (0.44) FFAR1SMN1; SMN2RXRARXRBRXRG
SCHEMBL733155 0.92 RXRA (0.44) FFAR1SMN1; SMN2RXRARXRBRXRG
SCHEMBL479988 0.92 RXRA (0.44) FFAR1SMN1; SMN2RXRARXRBRXRG
SCHEMBL753118 0.91 ALDH1A1 (0.44) FFAR1PTGDR2SMN1; SMN2RXRAPPARD
SCHEMBL479781 0.91 ALDH1A1 (0.44) FFAR1PTGDR2SMN1; SMN2RXRAPPARD
SCHEMBL754303 0.90 FFAR1 (0.39) FFAR1PTGDR2RXRARXRBPPARG
SCHEMBL479829 0.90 FFAR1 (0.39) FFAR1PTGDR2RXRARXRBPPARG
SCHEMBL480629 0.88 NPC1 (0.41) FFAR1SMN1; SMN2NR1H4NR1H2MRGPRX4
SCHEMBL733430 0.88 MAOB (0.45) FFAR1SMN1; SMN2RXRARXRBMRGPRX4

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 10 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
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO 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
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP 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 FFAR1 45/4885PTGDR2 465/4885SMN1; SMN2 4229/4885

“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.