SCHEMBL514285

SCHEMBL514285

CC(OC(N)=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.49
CES2 O00748 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PNMT P11086 1/20 0.49
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
ACP3 P15309 1/20 0.46
ADAMTS4 O75173 1/20 0.44
MMP13 P45452 1/20 0.44
DAO P14920 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL3077103 0.86 CES2 (0.50) EPHX1CES2NPSR1PNMTIDO1
SCHEMBL2364380 0.81 KIF11 (0.47) CES2ACP3
SCHEMBL10090030 0.81 PNMT (0.59) EPHX1CES2PNMTIDO1TDO2
SCHEMBL27795851 0.80 HDAC4 (0.46) EPHX1CES2IDO1TDO2SLC6A4
SCHEMBL377074 0.80 AURKA (0.57) EPHX1CES2NPSR1PNMTACP3
SCHEMBL8410671 0.79 NPSR1 (0.50) EPHX1CES2NPSR1PNMTIDO1
SCHEMBL8410668 0.79 NPSR1 (0.50) EPHX1CES2NPSR1PNMTIDO1
SCHEMBL8463038 0.79 NPSR1 (0.50) EPHX1CES2NPSR1PNMTIDO1
Hydrochloric Acid SCHEMBL15206146 0.79 PNMT (0.57) EPHX1CES2PNMTIDO1TDO2
SCHEMBL30117130 0.79 MEN1 (0.51) EPHX1CES2NPSR1PNMTIDO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
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 EPHX1 1760/4885CES2 577/4885NPSR1 454/4885

“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.