SCHEMBL5052822

SCHEMBL5052822

Cc1sccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.41
KIF11 P52732 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
KCNH2 Q12809 3/20 0.39
SCN10A Q9Y5Y9 3/20 0.39
SCN5A Q14524 3/20 0.39
SCN1A P35498 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
ALOX5 P09917 1/20 0.38
CHRNA7 P36544 1/20 0.38
GRIN2B Q13224 1/20 0.37
GPR3 P46089 1/20 0.37
IDO1 P14902 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL8038496 0.78 PTGS2 (0.51) NPC1RAB9AALDH1A1
SCHEMBL5126984 0.77 KIF11 (0.42) CASP3KIF11NISCH
SCHEMBL21938185 0.76 GPR3 (0.46) KIF11NISCHKCNH2SCN10ASCN5A
SCHEMBL14605699 0.76 KIF11 (0.41) CASP3KIF11NISCHKCNH2SCN10A
SCHEMBL695291 0.74 PTGS1 (0.51)
SCHEMBL14033481 0.73 EPHX2 (0.37) CASP3KIF11KCNH2SCN10ASCN5A
SCHEMBL5055342 0.73 KIF11 (0.42) CASP3KIF11SCN5ASCN9AALOX5
SCHEMBL8089263 0.73 PTGS2 (0.49) CASP3IDO1NPC1RAB9AALDH1A1
SCHEMBL12148950 0.73 SCN5A (0.45) KIF11NISCHSCN5ASCN9AGABBR2
SCHEMBL5123239 0.72 CASP3 (0.36) CASP3KIF11KCNH2SCN10ASCN5A

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
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 US disclosed
EP-1940767-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-07-09 EP disclosed
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 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-20080249137-A1 PPAR active compounds PPARG, PPARA, PPARD CASP3 1482/4885KIF11 4491/4885NISCH 4659/4885

“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.