SCHEMBL4595644

SCHEMBL4595644

CC(C)[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.52
AR P10275 9/20 0.47
CYP2C19 P33261 1/20 0.46
ABCB11 O95342 1/20 0.46
ALB P02768 1/20 0.46
PGR P06401 1/20 0.46
ADRA2C P18825 1/20 0.46
GHSR Q92847 1/20 0.46
SLC22A12 Q96S37 1/20 0.45

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
SCHEMBL1291418 0.91 TAS2R14 (0.51) TAS2R14ARCYP2C19ABCB11ALB
SCHEMBL12140104 0.91 TAS2R14 (0.51) TAS2R14ARCYP2C19ABCB11ALB
SCHEMBL1363920 0.91 TAS2R14 (0.51) TAS2R14ARCYP2C19ABCB11ALB
SCHEMBL1363115 0.91 TAS2R14 (0.51) TAS2R14ARCYP2C19ABCB11ALB
SCHEMBL4594827 0.86 AR (0.54) TAS2R14ARCYP2C19ABCB11ALB
SCHEMBL253612 0.85 TAS2R14 (0.52) TAS2R14ARSLC22A12
SCHEMBL253611 0.85 TAS2R14 (0.52) TAS2R14ARSLC22A12
SCHEMBL13747842 0.82 AR (0.48) TAS2R14ARCYP2C19ABCB11ALB
SCHEMBL15712966 0.82 TAS2R14 (0.47) TAS2R14ARCYP2C19ABCB11ALB
SCHEMBL1710048 0.81 TAS2R14 (0.46) TAS2R14ARCYP2C19ABCB11ALB

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
US-20080194536-A1 Cyanoarylamines SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1871379-A2 CYANOARYLAMINES Smithkline Beecham Corporation (US) 2008-01-02 EP disclosed
WO-2006113552-A2 CYANOARYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080194536-A1 Cyanoarylamines EDNRA, CYP19A1, HSD17B11 TAS2R14 3654/4885AR 84/4885CYP2C19 196/4885

“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.