SCHEMBL1577570

SCHEMBL1577570

CS(=O)(=O)c1ccc(O)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
ESR1 P03372 1/20 0.50
ENPP2 Q13822 1/20 0.45
PTGS2 P35354 3/20 0.42
HRH4 Q9H3N8 1/20 0.41
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ERAP1 Q9NZ08 1/20 0.39
CCR2 P41597 1/20 0.39
LMNA P02545 1/20 0.39
CACNA1B Q00975 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIK3CA P42336 1/20 0.38
KCNH2 Q12809 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 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
SCHEMBL16117681 0.83 ALDH1A1 (0.57) ENPP2PTGS2ALDH1A1LMNAHSD17B2
SCHEMBL29780618 0.83 CA2 (0.55) KIF11ESR1PTGS2
SCHEMBL29588513 0.83 ALDH1A1 (0.57) ENPP2PTGS2ALDH1A1LMNAHSD17B2
SCHEMBL20870448 0.81 ESR1 (0.44) KIF11ESR1BRD4ERAP1HSD17B1
SCHEMBL14242830 0.79 KIF11 (0.51) KIF11PTGS2HRH4CCR2
SCHEMBL585873 0.79 KIF11 (0.60) KIF11PTGS2HRH4ERAP1CCR2
SCHEMBL1460005 0.79 KIF11 (0.47) KIF11ENPP2PTGS2HRH4CCR2
SCHEMBL1190580 0.79 KIF11 (0.47) KIF11ENPP2PTGS2HRH4
SCHEMBL14478168 0.78 KIF11 (0.50) KIF11ESR1PTGS2HRH4CCR2
SCHEMBL20969555 0.78 KIF11 (0.54) KIF11PTGS2HRH4CCR2PDK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018537-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2014-01-16 US disclosed
US-8536176-B2 GPR119 agonist NIPPON CHEMIPHAR CO., LTD. (JP) 2013-09-17 US disclosed
US-20110137032-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2011-06-09 US disclosed
EP-2311822-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2011-04-20 EP 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 (2 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-20140018537-A1 GPR119 AGONIST GPR119, GPR27, GPR52 KIF11 3980/4885ESR1 302/4885ENPP2 478/4885
US-20110137032-A1 GPR119 AGONIST GPR119, GPR27, GPR52 KIF11 3980/4885ESR1 302/4885ENPP2 478/4885

“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.