SCHEMBL4777334

SCHEMBL4777334

NC(=O)CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.46
NAMPT P43490 2/20 0.46
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
CSF1R P07333 1/20 0.41

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
SCHEMBL4777412 0.86 EPHX2 (0.46) SCN3ANAMPTPPARAPPARGTDP1
SCHEMBL4773151 0.84 MAPT (0.44) SCN3ANAMPTCA2CA1TDP1
SCHEMBL4776425 0.84 TDP1 (0.42) SCN3ANAMPTPPARAPPARGCA2
SCHEMBL14497666 0.83 EPHX2 (0.62) SCN3ANAMPTPPARAPPARGTDP1
SCHEMBL4777709 0.83 PPARG (0.48) SCN3ANAMPTPPARAPPARGCA2
SCHEMBL4773432 0.82 MEN1 (0.46) NAMPTCA2CA1ALDH1A1MEN1
SCHEMBL4768151 0.81 MAPT (0.49) SCN3ANAMPTPPARAPPARGCA2
SCHEMBL4769752 0.81 NAMPT (0.45) SCN3ANAMPTPPARAPPARGTDP1
SCHEMBL4773250 0.81 SCN3A (0.51) SCN3ANAMPTPPARAPPARGTDP1
SCHEMBL5571585 0.80 MAPK14 (0.44) SCN3ANAMPTPPARAPPARGTDP1

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 SCN3A 3406/4885NAMPT 3369/4885PPARA 2973/4885

“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.