SCHEMBL755682

SCHEMBL755682

C[C@@H](c1ccc(Oc2cc(C(F)(F)F)c(C(=O)O)cn2)cc1Cl)[C@](O)(c1cc(Cl)c(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
MAPK10 P53779 9/20 0.35
MAPK8 P45983 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
GABRA5 P31644 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGER4 P35408 1/20 0.32
GAA P10253 2/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
FFAR1 O14842 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL479918 1.00 MAPT (0.35) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL753346 0.95 MAPT (0.35) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL480607 0.95 MAPT (0.35) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL480044 0.92 MAPT (0.45) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL755680 0.92 MAPT (0.45) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL752281 0.91 MAPK10 (0.37) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL732783 0.91 MAPK10 (0.37) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL754975 0.87 MAPT (0.45) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL480756 0.87 MAPT (0.45) MAPTMAPK10MAPK8KDM4EALDH1A1
SCHEMBL480048 0.85 S1PR2 (0.34) MEN1KMT2APTGER4

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 4 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

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.