SCHEMBL752272

SCHEMBL752272

C[C@@H](c1ccc(-c2ccc(C(=O)O)c(F)c2)cc1Cl)[C@](O)(c1cccc2cnccc12)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.39
SLC22A12 Q96S37 1/20 0.38
RORC P51449 6/20 0.36
SCN9A Q15858 2/20 0.36
CYP3A4 P08684 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
DHODH Q02127 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
SCN5A Q14524 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 1.00 TRPV1 (0.39) TRPV1SLC22A12RORCSCN9ACYP3A4
SCHEMBL480178 0.91 TRPV1 (0.39) TRPV1RORCSCN9ASCN5A
SCHEMBL15789783 0.88 TRPV1 (0.38) TRPV1RORCSCN9ACYP3A4
SCHEMBL480059 0.86 NT5E (0.38) TRPV1CYP3A4CSNK2A2CSNK2B
SCHEMBL837634 0.82 TRPV1 (0.38) TRPV1
SCHEMBL480188 0.81 KDM4E (0.36) TRPV1
SCHEMBL753267 0.79 MRGPRX4 (0.42) TRPV1CYP3A4
SCHEMBL480023 0.79 MRGPRX4 (0.42) TRPV1CYP3A4
SCHEMBL734642 0.78 ALDH1A1 (0.37) TRPV1CYP3A4
SCHEMBL480028 0.78 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
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 TRPV1 1406/4885SLC22A12 2603/4885RORC 250/4885

“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.