SCHEMBL4136947

SCHEMBL4136947

N#Cc1ccc(N(Cc2noc(-c3ccc(OC(F)(F)F)cc3)n2)CC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.43
PGR P06401 3/20 0.38
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
S1PR1 P21453 1/20 0.34
USP30 Q70CQ3 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SCD O00767 1/20 0.33
GSK3B P49841 1/20 0.33
DHFR P00374 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
SCHEMBL4137799 0.90 GRM5 (0.43) ARPGRS1PR1USP30
SCHEMBL4139876 0.89 AR (0.40) ARPGRS1PR1
SCHEMBL4153574 0.89 AR (0.40) ARPGR
SCHEMBL4145083 0.88 AR (0.47) ARPGRS1PR1
SCHEMBL4146890 0.84 AR (0.43) ARPGRS1PR1
SCHEMBL4153700 0.84 AR (0.38) ARPGRS1PR1
SCHEMBL4140303 0.83 AR (0.41) ARPGRNPSR1
SCHEMBL4144463 0.83 NR1H2 (0.45) ARPGRPPARGPPARDPPARA
SCHEMBL4137903 0.82 AR (0.40) ARPGR
SCHEMBL4145488 0.80 AR (0.43) ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US claimed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
US-20090170907-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
EP-1888512-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-20 EP disclosed
WO-2006133216-A2 4-SUBSTITUTED ARYLAMINE DERIVATIVES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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-20090170907-A1 Chemical Compounds NR3C2, NR5A1, NR3C1 AR 4/4885PGR 27/4885PPARG 134/4885

“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.