SCHEMBL4154064

SCHEMBL4154064

CS(=O)(=O)NCCc1nc(CN(CC(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)no1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.40
PGR P06401 3/20 0.40
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CNR2 P34972 1/20 0.32
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL4147163 0.91 AR (0.41) ARPGRCYP2D6CYP2C9CNR2
SCHEMBL4145386 0.87 AR (0.44) ARPGRCYP2D6CYP2C9
SCHEMBL4158830 0.85 AR (0.42) ARPGRCNR2
SCHEMBL4150671 0.84 AR (0.40) ARPGR
SCHEMBL4146432 0.84 AR (0.46) ARPGR
SCHEMBL13777375 0.83 AR (0.41) ARPGR
SCHEMBL4140658 0.83 AR (0.42) ARPGR
SCHEMBL13777359 0.82 AR (0.40) ARPGR
SCHEMBL4145576 0.82 AR (0.41) ARPGR
SCHEMBL4153666 0.81 AR (0.45) 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 3 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

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 27/4885CYP2D6 321/4885

“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.