SCHEMBL754975

SCHEMBL754975

COC(=O)c1cnc(Oc2ccc([C@H](C)[C@](O)(c3cc(C)c(=O)n(C)c3)C(F)(F)F)c(Cl)c2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPK10 P53779 8/20 0.36
MAPK8 P45983 3/20 0.36
LMNA P02545 3/20 0.35
GAA P10253 1/20 0.34
RAF1 P04049 1/20 0.33
MAPK3 P27361 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 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
SCHEMBL480756 1.00 MAPT (0.45) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL755680 0.95 MAPT (0.45) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL480044 0.95 MAPT (0.45) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL753346 0.92 MAPT (0.35) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL480607 0.92 MAPT (0.35) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL734429 0.91 MAPT (0.46) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL753049 0.91 MAPT (0.46) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL755682 0.87 MAPT (0.35) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL752384 0.87 LMNA (0.42) ALDH1A1LMNA
SCHEMBL480795 0.87 LMNA (0.42) ALDH1A1LMNA

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 disclosed
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
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO 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 2644/4885KDM4E 1499/4885NPC1 524/4885

“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.