SCHEMBL753262

SCHEMBL753262

C[C@@H](c1ccc(OCc2ccc(C(=O)O)cc2)cc1Cl)[C@](O)(c1cnc2ccccc2c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
RXRA P19793 4/20 0.41
RXRB P28702 4/20 0.41
RXRG P48443 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
NR4A2 P43354 4/20 0.39
NR1H4 Q96RI1 2/20 0.39
LIFR P42702 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL480026 1.00 MAOB (0.42) MAOBRXRARXRBRXRGCYSLTR1
SCHEMBL754449 0.93 SMN1; SMN2 (0.42) MAOBCYSLTR1NR1H4FFAR1
SCHEMBL479859 0.93 SMN1; SMN2 (0.42) MAOBCYSLTR1NR1H4FFAR1
SCHEMBL479745 0.92 MAOB (0.51) MAOB
SCHEMBL753250 0.92 MAOB (0.51) MAOB
SCHEMBL752268 0.90 LMNA (0.45) MAOBFFAR1
SCHEMBL480022 0.90 LMNA (0.45) MAOBFFAR1
Bicarbonate SCHEMBL15789708 0.89 ALOX5 (0.38) MAOBCYSLTR1MRGPRX4FFAR1
SCHEMBL837005 0.89 MAOB (0.38) MAOBCYSLTR1NR1H4FFAR1
SCHEMBL480201 0.88 AKR1C3 (0.39) MAOBNR1H4FFAR1

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 MAOB 881/4885RXRA 584/4885RXRB 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.