SCHEMBL513189

SCHEMBL513189

O=[C]COc1cccc(SC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 2/20 0.38
CETP P11597 2/20 0.38
RXFP1 Q9HBX9 2/20 0.35
BRAF P15056 3/20 0.35
TRPV1 Q8NER1 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
PTPN1 P18031 2/20 0.32
PTPN2 P17706 1/20 0.32
PTPRB P23467 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12251503 0.79 TP53 (0.49) PTPRZ1CETPRXFP1MAPTMAPK1
SCHEMBL11753288 0.79 MAOB (0.35) LMNAKDM4E
SCHEMBL514198 0.79 LMNA (0.35) PTPRZ1CETPRXFP1BRAFTRPV1
SCHEMBL513190 0.78 PTPRZ1 (0.38) PTPRZ1CETPRXFP1BRAFTRPV1
SCHEMBL6209472 0.76 KDM4E (0.54) LMNAKDM4E
SCHEMBL767787 0.74 SMN1; SMN2 (0.45) CETPLMNATSHRMAPK1KDM4E
SCHEMBL767788 0.74 SMN1; SMN2 (0.45) CETPLMNATSHRMAPK1KDM4E
SCHEMBL5252207 0.73 DAO (0.50) LMNAMAPK1KDM4ESMN1; SMN2
SCHEMBL515475 0.73 CETP (0.37) PTPRZ1CETPRXFP1BRAFTRPV1
SCHEMBL515476 0.73 ACHE (0.45) CETPRXFP1LMNA

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-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-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 PTPRZ1 477/4885CETP 4602/4885RXFP1 176/4885

“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.