SCHEMBL734622

SCHEMBL734622

Cc1cc([C@@](O)([C@@H](C)c2ccc(Oc3ccc(C#N)cc3Cl)cc2Cl)C(F)(F)F)cn(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.37
FFAR1 O14842 1/20 0.37
HTR2A P28223 3/20 0.34
KCNH2 Q12809 3/20 0.34
SLC6A4 P31645 2/20 0.34
HSD11B1 P28845 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
BRD4 O60885 5/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
CREBBP Q92793 1/20 0.32
TBXA2R P21731 1/20 0.32
NR3C1 P04150 2/20 0.32
ESRRA P11474 1/20 0.31
MDM2 Q00987 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
SCHEMBL480467 1.00 AR (0.37) ARFFAR1HTR2AKCNH2SLC6A4
SCHEMBL480386 1.00 AR (0.37) ARFFAR1HTR2AKCNH2SLC6A4
SCHEMBL481056 0.94 CYP11B1 (0.36) ARFFAR1HTR2AKCNH2SLC6A4
SCHEMBL480811 0.89 FFAR1 (0.40) ARFFAR1HTR2AKCNH2SLC6A4
SCHEMBL733736 0.86 MRGPRX4 (0.35) FFAR1HTR2AKCNH2SLC6A4PDK1
SCHEMBL480761 0.86 MRGPRX4 (0.35) FFAR1HTR2AKCNH2SLC6A4PDK1
SCHEMBL733612 0.86 MRGPRX4 (0.35) FFAR1HTR2AKCNH2SLC6A4PDK1
SCHEMBL3658320 0.84 AR (0.38) ARFFAR1HTR2AKCNH2SLC6A4
SCHEMBL733559 0.83 CYP11B1 (0.38) ARFFAR1HTR2AKCNH2SLC6A4
SCHEMBL480953 0.82 CRHR1 (0.37) HTR2AKCNH2SLC6A4BRD4BRD2

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 3 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
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US 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 187/4885FFAR1 45/4885HTR2A 101/4885

“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.