SCHEMBL4774826

SCHEMBL4774826

O=C(NCc1ccc(C(F)(F)F)nc1)c1ccc(N(CCCc2cccc(Cl)c2Cl)S(=O)(=O)NC(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
DGAT2 Q96PD7 1/20 0.42
NAMPT P43490 6/20 0.41
MAPT P10636 1/20 0.40
TRPM8 Q7Z2W7 3/20 0.40
TP53 P04637 1/20 0.39
ITK Q08881 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SCN3A Q9NY46 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL4768014 0.92 GAA (0.42) GAADGAT2NAMPTMAPTTRPM8
SCHEMBL4770911 0.91 GAA (0.43) GAADGAT2NAMPTMAPTTRPM8
SCHEMBL4778483 0.90 GAA (0.41) GAADGAT2NAMPTMAPTTRPM8
SCHEMBL4776124 0.90 GAA (0.44) GAADGAT2NAMPTMAPTTRPM8
SCHEMBL4773098 0.88 GAA (0.43) GAADGAT2NAMPTMAPTTRPM8
SCHEMBL4776191 0.87 GAA (0.44) GAADGAT2NAMPTMAPTTRPM8
SCHEMBL4774824 0.83 GAA (0.48) GAADGAT2NAMPTMAPTTRPM8
SCHEMBL4774990 0.83 GAA (0.51) GAADGAT2NAMPTMAPTTRPM8
SCHEMBL4767863 0.82 GAA (0.61) GAADGAT2NAMPTMAPTALDH1A1
SCHEMBL4771007 0.81 GAA (0.46) GAADGAT2NAMPTMAPTTRPM8

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 GAA 466/4885DGAT2 3173/4885NAMPT 3369/4885

“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.