SCHEMBL4777412

SCHEMBL4777412

CCOC(=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
EPHX2 P34913 4/20 0.46
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
SCN3A Q9NY46 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NAMPT P43490 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNQ4 P56696 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RORC P51449 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL4777334 0.86 SCN3A (0.46) EPHX2PPARGPPARASCN3ATDP1
SCHEMBL14497666 0.81 EPHX2 (0.62) EPHX2PPARGPPARASCN3ATDP1
SCHEMBL4777415 0.81 HPGD (0.42) ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL5571585 0.80 MAPK14 (0.44) EPHX2PPARGPPARASCN3ATDP1
SCHEMBL4777709 0.79 PPARG (0.48) EPHX2PPARGPPARASCN3ATDP1
SCHEMBL4777602 0.79 SCN3A (0.41) EPHX2PPARGPPARASCN3ATDP1
SCHEMBL5572196 0.78 PPARA (0.42) EPHX2PPARGPPARASCN3ATDP1
SCHEMBL4769752 0.78 NAMPT (0.45) PPARGPPARASCN3ATDP1NAMPT
SCHEMBL4773250 0.78 SCN3A (0.51) PPARGPPARASCN3ATDP1NAMPT
SCHEMBL4768151 0.78 MAPT (0.49) EPHX2PPARGPPARASCN3ATDP1

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 EPHX2 2831/4885PPARG 2756/4885PPARA 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.