SCHEMBL14916657

SCHEMBL14916657

FC(F)(F)Oc1ccc(NC2CCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.56
EPHX1 P07099 4/20 0.56
GALR2 O43603 2/20 0.52
GALR1 P47211 2/20 0.52
SYK P43405 2/20 0.50
GABBR2 O75899 1/20 0.48
GABBR1 Q9UBS5 1/20 0.48
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ROCK2 O75116 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
DHODH Q02127 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
SCHEMBL2172826 0.93 EPHX2 (0.51) EPHX2EPHX1GALR2GALR1SYK
SCHEMBL12953404 0.92 EPHX2 (0.56) EPHX2EPHX1GALR2GALR1SYK
SCHEMBL12953129 0.90 EPHX2 (0.58) EPHX2EPHX1GALR2GALR1SYK
SCHEMBL2093841 0.85 GALR2 (0.46) EPHX2EPHX1GALR2GALR1SYK
SCHEMBL5536264 0.85 EPHX1 (0.64) EPHX2EPHX1GALR2GALR1SYK
Hydrochloric Acid SCHEMBL411544 0.83 EPHX1 (0.63) EPHX2EPHX1GALR2GALR1SYK
SCHEMBL15434152 0.81 EPHX2 (0.50) EPHX2EPHX1GALR2GALR1SYK
SCHEMBL15434091 0.81 EPHX2 (0.50) EPHX2EPHX1GALR2GALR1SYK
SCHEMBL12953406 0.81 EPHX2 (0.50) EPHX2EPHX1GALR2GALR1SYK
SCHEMBL14917221 0.80 GALR2 (0.54) EPHX2GALR2GALR1ROCK2CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357917-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
EP-3124481-B1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2018-03-28 EP disclosed
EP-2824102-B1 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS INC (US) 2017-02-01 EP disclosed
EP-3124481-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2017-02-01 EP disclosed
US-9481664-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-9108944-B2 Androgen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS INC (US) 2015-07-02 US disclosed
EP-2824102-A1 Androgen receptor modulators and uses thereof Aragon Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
US-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-05-09 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-20130116258-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 EPHX2 4027/4885EPHX1 3626/4885GALR2 401/4885
US-20150182529-A1 ANDROGEN RECEPTOR MODULATORS AND USES THEREOF AR, ESRRA, NR5A1 EPHX2 4027/4885EPHX1 3626/4885GALR2 401/4885

“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.