SCHEMBL513796

SCHEMBL513796

[CH2]C(=O)c1cccc(SC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
PDE5A O76074 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BRAF P15056 2/20 0.40
TRPV1 Q8NER1 5/20 0.39
CES2 O00748 1/20 0.38
APEX1 P27695 1/20 0.38
PTPRZ1 P23471 1/20 0.37
KCNK2 O95069 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL2787937 0.86 TSHR (0.53) LMNAMAPTTSHRMAPK1HTT
SCHEMBL26622156 0.84 LMNA (0.54) LMNAMAPTTSHRMAPK1HTT
SCHEMBL10348307 0.84 LMNA (0.50) LMNAMAPTTSHRMAPK1HTT
SCHEMBL29508729 0.84 CYP1A2 (0.63) LMNAMAPTTSHRMAPK1HTT
SCHEMBL879988 0.84 CYP1A2 (0.63) LMNAMAPTTSHRMAPK1HTT
SCHEMBL842358 0.82 MAPK1 (0.49) LMNAMAPTTSHRMAPK1HTT
SCHEMBL1448525 0.82 TSHR (0.49) LMNAMAPTTSHRMAPK1HTT
SCHEMBL515061 0.81 LMNA (0.46) LMNAMAPTTSHRMAPK1HTT
SCHEMBL28327989 0.81 MAPT (0.63) LMNAMAPTTSHRMAPK1HTT
SCHEMBL2644958 0.79 MAPK1 (0.50) LMNAMAPTTSHRMAPK1HTT

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 LMNA 4076/4885MAPT 4824/4885TSHR 307/4885

“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.