SCHEMBL513220

SCHEMBL513220

COCOC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAOB P27338 1/20 0.42
AR P10275 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL23817285 0.84 TSHR (0.50) TSHRLMNAGAAL3MBTL1TDP1
SCHEMBL513219 0.84 LMNA (0.47) TSHRLMNAGAAL3MBTL1TDP1
SCHEMBL1994129 0.83 TSHR (0.67) TSHRLMNAGAAL3MBTL1TDP1
SCHEMBL8606695 0.82 TSHR (0.68) TSHRLMNAL3MBTL1TDP1NPC1
SCHEMBL45490 0.81 LMNA (0.59) TSHRLMNAGAAALDH1A1KDM4E
SCHEMBL31575818 0.81 ALDH1A1 (0.69) TSHRLMNAGAAL3MBTL1TDP1
SCHEMBL22864268 0.81 ALDH1A1 (0.69) TSHRLMNAGAAL3MBTL1TDP1
SCHEMBL28299341 0.78 TSHR (0.71) TSHRLMNAL3MBTL1TDP1ALDH1A1
SCHEMBL514479 0.78 TSHR (0.53) TSHRLMNAGAAL3MBTL1NPC1
SCHEMBL16127475 0.77 ALDH1A1 (0.63) TSHRLMNAGAAL3MBTL1TDP1

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
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 TSHR 307/4885LMNA 4076/4885GAA 4215/4885

“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.