SCHEMBL479727

SCHEMBL479727

COC(=O)c1cccc(C(=O)Nc2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL479972 0.94 RAB9A (0.50) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL754762 0.94 RAB9A (0.50) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL479943 0.92 MAPT (0.40) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL479945 0.91 NPC1 (0.43) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL480861 0.91 MAPT (0.44) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL838128 0.89 RAB9A (0.45) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL480160 0.86 PDK1 (0.43) SMN1; SMN2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL479788 0.86 NR1H4 (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL479911 0.86 HDAC4 (0.41) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL752900 0.85 PDK1 (0.39) RAB9AMAPTNPC1MEN1KMT2A

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 RAB9A 1623/4885MAPT 2644/4885NPC1 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.