SCHEMBL1376314

SCHEMBL1376314

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

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.63
PGR P06401 3/20 0.63
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
RORC P51449 1/20 0.34
S1PR1 P21453 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL1376312 1.00 AR (0.63) ARPGRNPC1RAB9ARXRA
SCHEMBL3296555 0.89 AR (0.79) ARPGRRXRARXRBRXRG
SCHEMBL3296551 0.89 AR (0.79) ARPGRRXRARXRBRXRG
SCHEMBL1377454 0.89 PGR (0.59) ARPGR
SCHEMBL1377453 0.89 PGR (0.59) ARPGR
SCHEMBL13326504 0.89 AR (0.65) ARPGRRXRARXRBRXRG
SCHEMBL5988439 0.86 AR (0.59) ARPGRRORC
SCHEMBL5988438 0.86 AR (0.59) ARPGRRORC
SCHEMBL1379968 0.85 AR (0.52) ARPGRRXRARXRBRXRG
SCHEMBL1377143 0.84 AR (0.57) ARPGRRORCMAOAMAOB

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 AR 1/4885PGR 24/4885NPC1 2753/4885
US-20070191479-A1 Aniline derivatives as selective androgen receptor modulators AR, NR3C2, NR5A1 AR 1/4885PGR 24/4885NPC1 2753/4885

“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.