SCHEMBL3289474

SCHEMBL3289474

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.56
RORC P51449 1/20 0.50
CYP2C19 P33261 1/20 0.50
ABCB11 O95342 1/20 0.50
ALB P02768 1/20 0.50
PGR P06401 1/20 0.50
ADRA2C P18825 1/20 0.50
GHSR Q92847 1/20 0.50

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
SCHEMBL1379973 0.89 ALDH1A1 (0.44) ARRORCCYP2C19
SCHEMBL3289681 0.89 AR (0.54) ARCYP2C19ABCB11ALBPGR
SCHEMBL1378748 0.86 RORC (0.49) ARRORC
SCHEMBL4207876 0.84 CNR2 (0.53) ARCYP2C19ABCB11ALBPGR
SCHEMBL3289604 0.84 CNR2 (0.53) ARCYP2C19ABCB11ALBPGR
SCHEMBL20459116 0.84 AR (0.60) ARCYP2C19ABCB11ALBPGR
SCHEMBL29328408 0.82 AR (0.64) ARRORCCYP2C19ABCB11ALB
SCHEMBL25166923 0.81 AR (0.55) ARCYP2C19ABCB11ALBPGR
SCHEMBL30171209 0.81 AR (0.63) ARCYP2C19ABCB11ALBPGR
SCHEMBL22728020 0.81 AR (0.63) ARCYP2C19ABCB11ALBPGR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725522-B1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2014-09-10 EP claimed
US-7514470-B2 Aniline derivatives as selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US claimed
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC 2007-08-16 US claimed
EP-1725522-B1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2014-09-10 EP disclosed
US-7723385-B2 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US disclosed
US-20090163588-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-25 US disclosed
US-7514470-B2 Aniline derivatives as selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators GLAXOSMITHKLINE LLC 2007-08-16 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 (2 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-20090163588-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR3C2, NR5A1 AR 1/4885RORC 162/4885CYP2C19 201/4885
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators AR, NR3C2, NR5A1 AR 1/4885RORC 162/4885CYP2C19 201/4885

“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.