SCHEMBL4777602

SCHEMBL4777602

COc1ccnc(CCS(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C(F)(F)F)nc3)cc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.40
PPARA Q07869 4/20 0.39
NAMPT P43490 4/20 0.39
RORC P51449 1/20 0.39
PPARD Q03181 1/20 0.39
PPARG P37231 1/20 0.38
PKM P14618 1/20 0.38
EPHX2 P34913 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
SCHEMBL4777604 0.81 LMNA (0.52) EPHX2
SCHEMBL4777412 0.79 EPHX2 (0.46) SCN3ATDP1ALDH1A1PPARANAMPT
SCHEMBL5572196 0.79 PPARA (0.42) SCN3ATDP1ALDH1A1PPARANAMPT
SCHEMBL5571585 0.78 MAPK14 (0.44) SCN3ATDP1ALDH1A1PPARANAMPT
SCHEMBL4768151 0.78 MAPT (0.49) SCN3ATDP1ALDH1A1PPARANAMPT
SCHEMBL4777709 0.78 PPARG (0.48) SCN3ATDP1ALDH1A1PPARANAMPT
SCHEMBL5568785 0.78 SCN3A (0.43) SCN3ATDP1ALDH1A1PPARANAMPT
SCHEMBL4777334 0.77 SCN3A (0.46) SCN3ATDP1ALDH1A1PPARANAMPT
SCHEMBL4767854 0.77 MAPT (0.46) SCN3ATDP1ALDH1A1PPARANAMPT
SCHEMBL4776425 0.77 TDP1 (0.42) SCN3ATDP1ALDH1A1PPARANAMPT

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 3406/4885TDP1 217/4885ALDH1A1 2159/4885

“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.