SCHEMBL753142

SCHEMBL753142

C[C@H](c1ccc(OCc2ccc(CC(=O)O)cc2)cc1Cl)[C@@](O)(c1ccnc(Cl)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARD Q03181 6/20 0.40
NR1H4 Q96RI1 4/20 0.40
CYP26A1 O43174 1/20 0.39
CYP3A4 P08684 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
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
SCHEMBL479814 1.00 FFAR1 (0.42) FFAR1PTGDR2SMN1; SMN2PPARDNR1H4
SCHEMBL479821 0.92 SMN1; SMN2 (0.46) FFAR1SMN1; SMN2PPARDRXRARXRB
SCHEMBL752896 0.92 RXRA (0.45) FFAR1SMN1; SMN2NR1H4CYP26A1CYP3A4
SCHEMBL479802 0.92 RXRA (0.45) FFAR1SMN1; SMN2NR1H4CYP26A1CYP3A4
SCHEMBL753140 0.91 NPC1 (0.45) FFAR1PTGDR2SMN1; SMN2NR1H4CYP26A1
SCHEMBL479892 0.91 NPC1 (0.45) FFAR1PTGDR2SMN1; SMN2NR1H4CYP26A1
SCHEMBL837461 0.89 CA2 (0.38) FFAR1SMN1; SMN2PPARDRXRARXRB
SCHEMBL754732 0.87 MAOB (0.45) FFAR1SMN1; SMN2RXRARXRB
SCHEMBL480004 0.87 MAOB (0.45) FFAR1SMN1; SMN2RXRARXRB
SCHEMBL479954 0.86 SMN1; SMN2 (0.38) FFAR1SMN1; SMN2CYP3A4PPARGNR1H2

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
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 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.