SCHEMBL480498

SCHEMBL480498

CNc1ccc(C(C)C(O)(c2ccnc(Cl)c2)C(F)(F)F)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.34
PDE2A O00408 1/20 0.34
NR3C1 P04150 1/20 0.32
SMARCA2 P51531 2/20 0.32
SMARCA4 P51532 1/20 0.32
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL837059 0.86 EPHX2 (0.40)
SCHEMBL837576 0.85 NR3C1 (0.40) ARPDE2ANR3C1
SCHEMBL15800817 0.85 AR (0.36) ARPDE2ANR3C1LMNA
SCHEMBL479887 0.85 ESR1 (0.37) ARPDE2ANR3C1
SCHEMBL479908 0.84 AURKA (0.39)
SCHEMBL479794 0.84 AR (0.36) ARPDE2ANR3C1SMN1; SMN2
SCHEMBL838128 0.83 RAB9A (0.45) KMT2ALMNA
SCHEMBL479911 0.83 HDAC4 (0.41) KMT2ALMNASMN1; SMN2
SCHEMBL732634 0.82 KMT2A (0.39) SMARCA2SMARCA4KMT2ALMNASMN1; SMN2
SCHEMBL480111 0.82 TDO2 (0.38) KMT2A

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 187/4885PDE2A 907/4885NR3C1 1/4885

“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.