SCHEMBL480607

SCHEMBL480607

Cc1cc(C(O)(C(C)c2ccc(Oc3cc(C(F)(F)F)c(C(=O)O)cn3)cc2Cl)C(F)(F)F)cn(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
MAPK10 P53779 7/20 0.35
MAPK8 P45983 3/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
GABRA5 P31644 1/20 0.34
RAF1 P04049 1/20 0.33
MAPK3 P27361 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PTGER4 P35408 1/20 0.31
GAA P10253 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
KDR P35968 3/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL753346 1.00 MAPT (0.35) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL755682 0.95 MAPT (0.35) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL479918 0.95 MAPT (0.35) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL480756 0.92 MAPT (0.45) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL754975 0.92 MAPT (0.45) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL752281 0.91 MAPK10 (0.37) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL732783 0.91 MAPK10 (0.37) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL755671 0.90 RHEB (0.33) MEN1KMT2APTGER4
SCHEMBL480873 0.90 RHEB (0.33) MEN1KMT2APTGER4
SCHEMBL480044 0.87 MAPT (0.45) MAPTMAPK10MAPK8KDM4EALDH1A1

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 10 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
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO 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
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 MAPT 2644/4885MAPK10 2328/4885MAPK8 2689/4885

“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.