SCHEMBL514478

SCHEMBL514478

[CH2]OCOC(=O)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ADRB2 P07550 4/20 0.48
ADRB1 P08588 4/20 0.48
ADRB3 P13945 4/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
PTPN1 P18031 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42

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
SCHEMBL21953834 0.85 CES2 (0.52) NPC1CES2CES1ADRB2ADRB1
SCHEMBL514479 0.82 TSHR (0.53) NPC1CES2CES1ADRB2ADRB1
SCHEMBL20475052 0.79 CES2 (0.54) NPC1CES2CES1ADRB2ADRB1
SCHEMBL23817386 0.79 TSHR (0.55) NPC1CES2CES1ADRB2ADRB1
SCHEMBL513706 0.79 CES2 (0.58) NPC1CES2CES1ADRB2ADRB1
SCHEMBL515067 0.79 HPGD (0.52) NPC1CES2CES1ADRB2ADRB1
SCHEMBL513219 0.78 LMNA (0.47) NPC1L3MBTL1CYP3A4TSHRLMNA
SCHEMBL514136 0.78 MAPT (0.50) NPC1MAPK1ALDH1A1CYP3A4TSHR
SCHEMBL2325118 0.78 TSHR (0.74) NPC1ADRB2ADRB1ADRB3TP53
SCHEMBL18867935 0.78 TSHR (0.74) NPC1ADRB2ADRB1ADRB3TP53

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 NPC1 3114/4885CES2 577/4885CES1 287/4885

“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.