SCHEMBL480028

SCHEMBL480028

CC(c1ccc(OS(=O)(=O)C(F)(F)F)cc1Cl)C(O)(c1cccc2cnccc12)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.36
TRPV1 Q8NER1 5/20 0.34
SUCNR1 Q9BXA5 1/20 0.34
SCN9A Q15858 1/20 0.34
CNR2 P34972 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
P2RX3 P56373 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL734642 0.88 ALDH1A1 (0.37) TRPV1CNR2KDM4EALDH1A1MAPT
SCHEMBL837634 0.84 TRPV1 (0.38) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL480188 0.83 KDM4E (0.36) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL480023 0.82 MRGPRX4 (0.42) TRPV1SMN1; SMN2
SCHEMBL753267 0.82 MRGPRX4 (0.42) TRPV1SMN1; SMN2
SCHEMBL480008 0.82 PPARD (0.41) TRPV1SUCNR1PDE4APDE4CPDE4D
SCHEMBL755581 0.82 PPARD (0.41) TRPV1SUCNR1PDE4APDE4CPDE4D
SCHEMBL480162 0.79 LMNA (0.41) TRPV1PDE4APDE4CPDE4DALDH1A1
SCHEMBL480059 0.79 NT5E (0.38) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL15789783 0.79 TRPV1 (0.38) TRPV1SUCNR1SCN9A

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
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 P2RX7 1305/4885TRPV1 1406/4885SUCNR1 148/4885

“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.