SCHEMBL754552

SCHEMBL754552

C[C@H](c1ccc(-c2ccc(F)c(C(=O)O)c2)cc1Cl)[C@@](O)(c1cnc2ccccc2c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL480118 1.00 TRPM8 (0.41) TRPM8AKR1C3AKR1C2CNR2CNR1
SCHEMBL480045 0.93 AKR1C3 (0.39) TRPM8AKR1C3AKR1C2CNR2CNR1
SCHEMBL753355 0.93 AKR1C3 (0.39) TRPM8AKR1C3AKR1C2CNR2CNR1
SCHEMBL15789782 0.87 AKR1C3 (0.38) TRPM8AKR1C3AKR1C2CNR2CNR1
SCHEMBL15789904 0.86 AKR1C3 (0.38) TRPM8AKR1C3AKR1C2CNR2CNR1
SCHEMBL838307 0.83 CNR1 (0.36) CNR2CNR1
SCHEMBL837795 0.82 CNR2 (0.43) TRPM8AKR1C3AKR1C2CNR2CNR1
SCHEMBL480147 0.80 CNR2 (0.35) CNR2CNR1
SCHEMBL480180 0.79 BIRC5 (0.36) CNR2CNR1
SCHEMBL473894 0.79 HSD11B1 (0.43) AKR1C2

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 TRPM8 3892/4885AKR1C3 97/4885AKR1C2 154/4885

“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.