SCHEMBL480083

SCHEMBL480083

COc1ccc(C(C)C(O)(c2cnc(C#N)c(C)c2)C(F)(F)F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NR3C1 P04150 1/20 0.34
FFAR1 O14842 1/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
OPRK1 P41145 1/20 0.32
POLB P06746 1/20 0.32
USP8 P40818 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 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
SCHEMBL480141 0.87 AR (0.40) ARGAAALDH1A1SMN1; SMN2PKM
SCHEMBL473973 0.86 AR (0.41) ARMEN1KMT2ANR3C1MAPT
SCHEMBL480128 0.84 FFAR1 (0.40) FFAR1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL753362 0.84 FFAR1 (0.40) FFAR1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL837986 0.82 HPGDS (0.41) ARMEN1KMT2ANR3C1MAPT
SCHEMBL732586 0.80 MEN1 (0.41) ARMEN1KMT2ANR3C1ALDH1A1
SCHEMBL480089 0.79 CNR2 (0.43) MEN1KMT2AGAANPC1ALDH1A1
SCHEMBL838142 0.78 TYK2 (0.41) ARMEN1KMT2A
SCHEMBL479984 0.78 DYRK1A (0.36) ARMEN1KMT2APOLB
SCHEMBL838310 0.77 MEN1 (0.38) ARMEN1KMT2AALDH1A1SMN1; 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 AR 187/4885MEN1 1173/4885KMT2A 1893/4885

“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.