SCHEMBL513706

SCHEMBL513706

[CH2]OC(=O)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
ALDH1A1 P00352 4/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
PTPN1 P18031 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
BCHE P06276 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRB2 P07550 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
SCHEMBL6967670 0.83 CES2 (0.61) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL8378855 0.82 CES2 (0.62) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL6062757 0.82 CES2 (0.62) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL3398637 0.82 CES2 (0.62) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL20599487 0.80 CES2 (0.60) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL514478 0.79 NPC1 (0.49) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL24288684 0.78 CES2 (0.58) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL21681966 0.78 CES2 (0.58) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL513707 0.78 KMT2A (0.67) CES2CES1ALDH1A1ALOX15KMT2A
SCHEMBL3930009 0.78 CES2 (0.58) CES2CES1ALDH1A1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
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-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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 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 CES2 577/4885CES1 287/4885ALDH1A1 1574/4885

“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.