SCHEMBL29464818

SCHEMBL29464818

Cn1ncc(-c2ccc(C(F)(F)F)cc2S(C)(=O)=O)c(O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.44
FEN1 P39748 5/20 0.44
SCN9A Q15858 1/20 0.38
PDE2A O00408 1/20 0.36
PTGS2 P35354 1/20 0.36
DDR1 Q08345 1/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
HIF1A Q16665 1/20 0.35
POLB P06746 1/20 0.34
ADRA1A P35348 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL14844537 1.00 ALOX5AP (0.44) ALOX5APFEN1SCN9APDE2APTGS2
SCHEMBL14844339 0.84 ALOX5AP (0.43) ALOX5APFEN1SCN9APDE2APTGS2
SCHEMBL14844503 0.83 ALOX5AP (0.41) ALOX5APFEN1SCN9APTGS2DDR1
SCHEMBL14844504 0.82 ALOX5AP (0.40) ALOX5APFEN1SCN9APTGS2DDR1
SCHEMBL14844552 0.82 ALOX5AP (0.40) ALOX5APFEN1SCN9APTGS2DDR1
SCHEMBL16007991 0.82 ALOX5AP (0.42) ALOX5APFEN1PTGS2DDR1
SCHEMBL27962367 0.81 ALOX5AP (0.39) ALOX5APFEN1SCN9ATLR2TLR1
SCHEMBL16008283 0.80 ALOX5AP (0.40) ALOX5APFEN1SCN9APDE2ADDR1
SCHEMBL16008282 0.80 ALOX5AP (0.39) ALOX5APFEN1SCN9ADDR1HIF1A
SCHEMBL16007810 0.79 ALOX5AP (0.38) ALOX5APFEN1SCN9APDE2APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220312767-A1 PYRIDAZINE COMPOUNDS AND HERBICIDES NIPPON SODA CO., LTD. (JP) 2022-10-06 US disclosed
CN-114375292-A 7-oxa-3,4-diazabicyclo [4.1.0] hept-4-en-2-one compounds and herbicides 日本曹达株式会社 2022-04-19 CN 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-20220312767-A1 PYRIDAZINE COMPOUNDS AND HERBICIDES CBR3, CHRM2, CBR1 ALOX5AP 2970/4885FEN1 3846/4885SCN9A 4831/4885

“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.