SCHEMBL1378748

SCHEMBL1378748

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.49
AR P10275 9/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
IDO1 P14902 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 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
SCHEMBL1379973 0.89 ALDH1A1 (0.44) RORCARALDH1A1
SCHEMBL3289474 0.86 AR (0.56) RORCAR
SCHEMBL1380671 0.81 RORC (0.49) RORCARALDH1A1LMNAGAA
SCHEMBL1380601 0.77 PGR (0.49) RORCARALDH1A1LMNAGAA
SCHEMBL1377398 0.77 RORC (0.52) RORCARALDH1A1LMNAGAA
SCHEMBL18677414 0.77 IDO1 (0.49) RORCARALDH1A1LMNAGAA
SCHEMBL14319106 0.77 IDO1 (0.49) RORCARALDH1A1LMNAGAA
SCHEMBL5984460 0.76 PGR (0.45) RORCAR
SCHEMBL3289681 0.75 AR (0.54) AR
SCHEMBL22195116 0.75 IDO1 (0.47) RORCARALDH1A1LMNAGAA

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 13 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
JP-4805909-B2 2011-11-02 JP 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-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-29 EP claimed
WO-2005085185-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO 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
EP-1725522-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-29 EP disclosed
WO-2005085185-A1 ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 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 (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 RORC 162/4885AR 1/4885ALDH1A1 1273/4885
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators AR, NR3C2, NR5A1 RORC 162/4885AR 1/4885ALDH1A1 1273/4885

“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.