SCHEMBL4154424

SCHEMBL4154424

CS(=O)(=O)c1ccc(-c2ccc(CN(CC(F)(F)F)c3ccc(C#N)c(C(F)(F)F)c3)o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.42
PGR P06401 3/20 0.42
KIF11 P52732 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP2C19 P33261 1/20 0.33
ABCB11 O95342 1/20 0.33
ALB P02768 1/20 0.33
ADRA2C P18825 1/20 0.33
GHSR Q92847 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
SCHEMBL4151769 0.86 AR (0.41) ARPGRRXRARXRBRXRG
SCHEMBL4150621 0.86 AR (0.41) ARPGRKIF11RXRARXRB
SCHEMBL4150448 0.85 AR (0.42) ARPGRRXRARXRBRXRG
SCHEMBL4150546 0.84 AR (0.41) ARPGRRXRARXRBRXRG
SCHEMBL4151676 0.83 AR (0.48) ARPGRKIF11RXRARXRB
SCHEMBL4145694 0.83 PRMT1 (0.44) ARPGR
SCHEMBL4149786 0.83 AR (0.44) ARPGRSIRT5
SCHEMBL13777363 0.83 AR (0.43) ARPGRKIF11RXRARXRB
SCHEMBL4137810 0.82 AR (0.41) ARPGRRXRARXRBRXRG
SCHEMBL4140506 0.81 AR (0.40) 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 27/4885KIF11 3476/4885

“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.