SCHEMBL514222

SCHEMBL514222

COCc1cccc(SC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PTPRZ1 P23471 3/20 0.41
PDK2 Q15119 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PTPN1 P18031 2/20 0.38
IDO1 P14902 4/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
AGXT P21549 2/20 0.35
PTGS2 P35354 1/20 0.34
HTR2A P28223 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
SCHEMBL514221 0.83 FFAR4 (0.44) CETPFFAR4PTPRZ1RXFP1PTPN1
SCHEMBL12300586 0.80 CETP (0.41) CETPFFAR4PTPRZ1RXFP1PTPN1
SCHEMBL27482769 0.80 ALDH1A1 (0.51) CETPFFAR4RXFP1
SCHEMBL3544087 0.80 FFAR4 (0.45) CETPFFAR4PTPRZ1RXFP1PTPN1
SCHEMBL20795339 0.80 HTR2C (0.47) IDO1AGXT
SCHEMBL514240 0.79 FFAR4 (0.44) CETPFFAR4PTPRZ1RXFP1PTPN1
SCHEMBL514241 0.79 FFAR4 (0.46) CETPFFAR4PTPRZ1RXFP1PTPN1
SCHEMBL13232623 0.78 PTPRZ1 (0.65) PTPRZ1PDK2PTPN1
SCHEMBL4800888 0.78 SLC6A4 (0.43) IDO1AGXT
SCHEMBL17288832 0.77 FFAR4 (0.39) CETPFFAR4PTPRZ1PTPN1IDO1

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
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 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 (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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 CETP 4602/4885FFAR4 2918/4885PTPRZ1 477/4885

“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.