SCHEMBL513308

SCHEMBL513308

[CH2]Sc1cccc(SC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPV1 Q8NER1 5/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
PTPRZ1 P23471 3/20 0.35
PTPN1 P18031 2/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CFTR P13569 1/20 0.33
RXFP1 Q9HBX9 3/20 0.33
CETP P11597 2/20 0.32
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 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
SCHEMBL476674 0.78 KDM4E (0.40) KDM4EALDH1A1TDP1TRPV1LMNA
SCHEMBL17937874 0.78 KDM4E (0.40) KDM4EALDH1A1TDP1TRPV1LMNA
SCHEMBL7050712 0.78 KDM4E (0.40) KDM4EALDH1A1TDP1TRPV1LMNA
SCHEMBL25416404 0.76 KDM4E (0.41) KDM4EALDH1A1TDP1TRPV1LMNA
SCHEMBL514154 0.76 KDM4E (0.41) KDM4EALDH1A1TDP1TRPV1LMNA
SCHEMBL513845 0.75 PTPRZ1 (0.39) KDM4EALDH1A1TDP1TRPV1LMNA
SCHEMBL656796 0.74 ALDH1A1 (0.56) KDM4EALDH1A1TDP1TRPV1LMNA
SCHEMBL1144520 0.74 TSHR (0.48) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL21824248 0.74 CFTR (0.48) KDM4EALDH1A1TDP1LMNAMAPT
SCHEMBL476676 0.74 ACHE (0.46) KDM4EALDH1A1TDP1LMNAMAPT

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 KDM4E 3260/4885ALDH1A1 1574/4885TDP1 3903/4885

“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.