SCHEMBL4776574

SCHEMBL4776574

O=C(NCc1ccc(C(F)(F)F)nc1)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.42
DGAT2 Q96PD7 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL4775223 0.86 DGAT2 (0.47) P2RX7DGAT2TRPV1
SCHEMBL4776751 0.86 P2RX7 (0.41) P2RX7DGAT2NAMPT
SCHEMBL4775016 0.86 DGAT2 (0.46) DGAT2TRPV1NAMPT
SCHEMBL4776602 0.84 DGAT2 (0.44) DGAT2TRPV1NAMPT
SCHEMBL4767854 0.83 MAPT (0.46) DGAT2NAMPT
SCHEMBL4776657 0.82 LMNA (0.41) P2RX7NAMPT
SCHEMBL4767775 0.82 ROCK2 (0.47) DGAT2
SCHEMBL4776579 0.78 GAA (0.42) P2RX7DGAT2
SCHEMBL4768151 0.76 MAPT (0.49) DGAT2TRPV1NAMPT
SCHEMBL5572196 0.75 PPARA (0.42) P2RX7DGAT2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 P2RX7 4514/4885DGAT2 3173/4885TRPV1 4265/4885

“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.