SCHEMBL4595413

SCHEMBL4595413

C[C@@H](C(=O)O)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 16/20 0.60
AR P10275 5/20 0.60
CYP2D6 P10635 10/20 0.49
CYP2C9 P11712 10/20 0.49
CYP2C19 P33261 2/20 0.48
KCNH2 Q12809 2/20 0.43
NR3C1 P04150 1/20 0.43
NR3C2 P08235 1/20 0.43
POLQ O75417 1/20 0.43
S1PR1 P21453 1/20 0.43

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
SCHEMBL4595409 1.00 PGR (0.60) PGRARCYP2D6CYP2C9CYP2C19
SCHEMBL4595879 0.90 PGR (0.76) PGRARCYP2D6CYP2C9CYP2C19
SCHEMBL4595878 0.90 PGR (0.76) PGRARCYP2D6CYP2C9CYP2C19
SCHEMBL4903805 0.87 PGR (0.55) PGRARCYP2D6CYP2C9CYP2C19
SCHEMBL4903803 0.87 PGR (0.55) PGRARCYP2D6CYP2C9CYP2C19
SCHEMBL3296555 0.85 AR (0.79) PGRARS1PR1
SCHEMBL3296551 0.85 AR (0.79) PGRARS1PR1
SCHEMBL4594559 0.85 PGR (0.65) PGRARCYP2D6CYP2C9CYP2C19
SCHEMBL3288098 0.84 AR (0.63) PGRARS1PR1
SCHEMBL3288101 0.84 AR (0.63) PGRARS1PR1

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 PGR 64/4885AR 84/4885CYP2D6 622/4885

“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.