SCHEMBL755447

SCHEMBL755447

C[C@H](c1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1Cl)[C@@](O)(c1ccnc(Cl)c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
NR1H4 Q96RI1 5/20 0.44
PTGDR2 Q9Y5Y4 10/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.40
FFAR1 O14842 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP26A1 O43174 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39

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
SCHEMBL479952 1.00 KDM4E (0.50) KDM4ENR1H4PTGDR2MAPTMAPK1
SCHEMBL479919 0.95 PTGDR2 (0.46) KDM4ENR1H4PTGDR2CYP26A1CYP26B1
SCHEMBL752162 0.92 SMN1; SMN2 (0.46) KDM4EMAPTMAPK1NPSR1
SCHEMBL479651 0.92 SMN1; SMN2 (0.46) KDM4EMAPTMAPK1NPSR1
SCHEMBL753147 0.91 MAPT (0.43) MAPTMAPK1NPSR1MEN1TP53
SCHEMBL479734 0.91 MAPT (0.43) MAPTMAPK1NPSR1MEN1TP53
SCHEMBL479894 0.90 NR1H4 (0.44) KDM4ENR1H4PTGDR2MEN1KMT2A
SCHEMBL752950 0.90 NR1H4 (0.44) KDM4ENR1H4PTGDR2MEN1KMT2A
SCHEMBL479788 0.89 NR1H4 (0.41) KDM4ENR1H4PTGDR2MEN1FFAR1
SCHEMBL480861 0.87 MAPT (0.44) MAPTMAPK1NPSR1MEN1TP53

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
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO 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 KDM4E 1499/4885NR1H4 195/4885PTGDR2 465/4885

“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.