SCHEMBL732783

SCHEMBL732783

CC(c1ccc(Oc2cc(C(F)(F)F)c(C(=O)O)cn2)cc1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.37
MAPK8 P45983 4/20 0.37
MAPT P10636 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
GABRA5 P31644 1/20 0.33
HRH1 P35367 1/20 0.33
CCR3 P51677 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PTGER4 P35408 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
SCHEMBL752281 1.00 MAPK10 (0.37) MAPK10MAPK8MAPTKDM4EALDH1A1
SCHEMBL734429 0.92 MAPT (0.46) MAPK10MAPK8MAPTKDM4EALDH1A1
SCHEMBL753049 0.92 MAPT (0.46) MAPK10MAPK8MAPTKDM4EALDH1A1
SCHEMBL755682 0.91 MAPT (0.35) MAPK10MAPK8MAPTKDM4EALDH1A1
SCHEMBL479918 0.91 MAPT (0.35) MAPK10MAPK8MAPTKDM4EALDH1A1
SCHEMBL480607 0.91 MAPT (0.35) MAPK10MAPK8MAPTKDM4EALDH1A1
SCHEMBL753346 0.91 MAPT (0.35) MAPK10MAPK8MAPTKDM4EALDH1A1
SCHEMBL480763 0.90 KCNH2 (0.35) MAPK10MAPK8SCN8ASCN10AHRH1
SCHEMBL754543 0.90 KCNH2 (0.35) MAPK10MAPK8SCN8ASCN10AHRH1
SCHEMBL12164063 0.87 CMA1 (0.37) MAPK10MAPK8MAPTKDM4EALDH1A1

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 claimed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
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-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 MAPK10 2328/4885MAPK8 2689/4885MAPT 2644/4885

“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.