SCHEMBL473913

SCHEMBL473913

COC(=O)c1cnc(Oc2ccc(C(C)C(O)(c3cc(C)c(C#N)c(C)c3)C(F)(F)F)c(Cl)c2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPK10 P53779 8/20 0.37
MAPK8 P45983 3/20 0.37
NR3C1 P04150 1/20 0.35
LMNA P02545 1/20 0.35
RAF1 P04049 1/20 0.34
MAPK3 P27361 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.33
ATM Q13315 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
SCHEMBL12164132 1.00 MAPT (0.47) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL473801 0.92 MAPT (0.36) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL12164133 0.92 MAPT (0.36) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL12164134 0.86 LMNA (0.44) MAPTALDH1A1MAPK1NR3C1LMNA
SCHEMBL473902 0.86 LMNA (0.44) MAPTALDH1A1MAPK1NR3C1LMNA
SCHEMBL474622 0.86 PDE4A (0.35) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL479991 0.86 MAPT (0.45) MAPTKDM4ENPC1ALDH1A1MAPK1
SCHEMBL473927 0.86 AR (0.35) MAPTKDM4EALDH1A1MAPK1NR3C1
SCHEMBL12164130 0.86 AR (0.35) MAPTKDM4EALDH1A1MAPK1NR3C1
SCHEMBL480756 0.85 MAPT (0.45) MAPTKDM4ENPC1ALDH1A1MAPK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411365-B1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-03-19 EP claimed
US-20130172335-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-04 US claimed
US-20120232071-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HUNZIKER DANIEL (CH) 2012-09-13 US claimed
EP-2411365-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP claimed
WO-2010108903-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO claimed
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
EP-2411365-B1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-03-19 EP disclosed
US-20130172335-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-04 US disclosed
US-8450313-B2 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-05-28 US disclosed
US-8268820-B2 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120232071-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HUNZIKER DANIEL (CH) 2012-09-13 US disclosed
EP-2411365-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
WO-2010108903-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 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 (3 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-20130172335-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R MAPT 4137/4885KDM4E 1608/4885NPC1 588/4885
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R MAPT 4207/4885KDM4E 2537/4885NPC1 603/4885
US-20120232071-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R MAPT 4137/4885KDM4E 1608/4885NPC1 588/4885

“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.