SCHEMBL480178

SCHEMBL480178

COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3cccc4cnccc34)C(F)(F)F)c(Cl)c2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.39
SCN9A Q15858 2/20 0.38
MET P08581 6/20 0.37
RORC P51449 1/20 0.36
SCN5A Q14524 1/20 0.34
PDK2 Q15119 1/20 0.34
TGFBR1 P36897 1/20 0.34
NR4A2 P43354 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CFTR P13569 1/20 0.33
DGAT2 Q96PD7 1/20 0.33

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
SCHEMBL479777 0.91 TRPV1 (0.39) TRPV1SCN9ARORCSCN5A
SCHEMBL752272 0.91 TRPV1 (0.39) TRPV1SCN9ARORCSCN5A
SCHEMBL15789783 0.86 TRPV1 (0.38) TRPV1SCN9ARORC
SCHEMBL480059 0.84 NT5E (0.38) TRPV1
SCHEMBL734642 0.80 ALDH1A1 (0.37) TRPV1DGAT2
SCHEMBL837634 0.80 TRPV1 (0.38) TRPV1
SCHEMBL480188 0.79 KDM4E (0.36) TRPV1
SCHEMBL752208 0.77 MET (0.36) SCN9AMETSCN5APDK2
SCHEMBL479969 0.77 MET (0.36) SCN9AMETSCN5APDK2
SCHEMBL480028 0.76 P2RX7 (0.36) TRPV1SCN9A

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 TRPV1 1406/4885SCN9A 2134/4885MET 1104/4885

“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.