SCHEMBL480099

SCHEMBL480099

COc1ccc(C(O)(C(C)c2ccc(-c3ccc(CC#N)cc3)cc2Cl)C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
FLT3 P36888 1/20 0.35
NR3C1 P04150 2/20 0.35
AR P10275 1/20 0.34
PTGES O14684 2/20 0.33
NAAA Q02083 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
ADAMTS4 O75173 1/20 0.31
HSD11B1 P28845 3/20 0.31
CNR1 P21554 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CNR2 P34972 1/20 0.31
KCNH2 Q12809 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL837193 0.81 RECQL (0.39) NR3C1ARHSD11B1
SCHEMBL27830963 0.80 PRKAG1 (0.39) NR3C1PTGES
SCHEMBL479723 0.80 PDK2 (0.40) KDRNR3C1PTGES
SCHEMBL752294 0.80 PDK2 (0.40) KDRNR3C1PTGES
SCHEMBL732586 0.80 MEN1 (0.41) NR3C1AR
SCHEMBL755595 0.80 SCN9A (0.37) KDRNR3C1
SCHEMBL479973 0.80 SCN9A (0.37) KDRNR3C1
SCHEMBL15789940 0.79 NR3C1 (0.40) KDRNR3C1PTGESSMN1; SMN2
SCHEMBL755599 0.79 CYP4F2 (0.36) PTGESCYP2C9SMN1; SMN2
SCHEMBL479679 0.79 CYP4F2 (0.36) PTGESCYP2C9SMN1; SMN2

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 5 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
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 KDR 733/4885TEK 683/4885FLT3 2653/4885

“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.