SCHEMBL5055342

SCHEMBL5055342

O=S(=O)(Cl)c1sccc1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
CASP3 P42574 1/20 0.40
PTGS2 P35354 4/20 0.36
PTGS1 P23219 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
NOTUM Q6P988 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
ALOX5 P09917 1/20 0.34
CHRM5 P08912 2/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
EPHX2 P34913 1/20 0.34
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34
MAPK8 P45983 1/20 0.34

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
SCHEMBL7352251 0.78 PTGS1 (0.50) PTGS2PTGS1
SCHEMBL6958157 0.74 PTGS2 (0.46) PTGS2EDNRBEDNRA
SCHEMBL5052822 0.73 CASP3 (0.41) KIF11CASP3ALOX5SCN5ASCN9A
SCHEMBL14572634 0.73 SCN9A (0.47) KIF11PTGS2PTGS1CHRM5SCN9A
SCHEMBL14605699 0.73 KIF11 (0.41) KIF11CASP3PTGS2NOTUMSCN5A
SCHEMBL5134292 0.72 KIF11 (0.45) KIF11PTGS2PTGS1SCN9AMAPK8
SCHEMBL5134293 0.72 KIF11 (0.45) KIF11CASP3PTGS2PTGS1SCN5A
SCHEMBL14033481 0.71 EPHX2 (0.37) KIF11CASP3NOTUMAKR1C2AKR1C1
SCHEMBL5051609 0.70 KIF11 (0.43) KIF11PTGS2AKR1C2AKR1C1SCN5A
SCHEMBL65853 0.70 FFAR4 (0.49) KIF11PTGS2PTGS1MMP2MMP9

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 5 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
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 KIF11 4491/4885CASP3 1482/4885PTGS2 557/4885

“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.