SCHEMBL480861

SCHEMBL480861

COC(=O)c1ccc(NC(=O)c2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MAPK1 P28482 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ABL1 P00519 2/20 0.40
KCNQ3 O43525 3/20 0.39
KCNQ2 O43526 3/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38

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
SCHEMBL479943 0.95 MAPT (0.40) MAPTMAPK1NPSR1KCNQ3KCNQ2
SCHEMBL479734 0.92 MAPT (0.43) MAPTMAPK1NPSR1KCNQ3KCNQ2
SCHEMBL753147 0.92 MAPT (0.43) MAPTMAPK1NPSR1KCNQ3KCNQ2
SCHEMBL479972 0.91 RAB9A (0.50) MAPTNPSR1NPC1RAB9AMEN1
SCHEMBL754762 0.91 RAB9A (0.50) MAPTNPSR1NPC1RAB9AMEN1
SCHEMBL480160 0.91 PDK1 (0.43) SMN1; SMN2ALDH1A1PDK1PDK2PDK3
SCHEMBL479727 0.91 RAB9A (0.42) MAPTKCNQ3KCNQ2NPC1RAB9A
SCHEMBL752900 0.90 PDK1 (0.39) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL479642 0.90 PDK1 (0.39) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL480111 0.89 TDO2 (0.38) MAPTMEN1KMT2AHPGDTRPV1

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 MAPT 2644/4885MAPK1 668/4885NPSR1 110/4885

“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.