SCHEMBL29968111

SCHEMBL29968111

COC(=O)OC(C)Oc1c(-c2ccc(C(F)(F)F)cc2S(C)(=O)=O)cnn(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
ABCB11 O95342 1/20 0.36
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A9 P48067 4/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MAPT P10636 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
PTGS2 P35354 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
PDE2A O00408 1/20 0.33
KCNH2 Q12809 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL23155073 1.00 ALOX5AP (0.36) ALOX5APFEN1ABCB11ITGB1ITGA4
SCHEMBL27962367 0.88 ALOX5AP (0.39) ALOX5APFEN1ABCB11ITGB1ITGA4
SCHEMBL14844503 0.85 ALOX5AP (0.41) ALOX5APFEN1ABCB11ITGB1ITGA4
SCHEMBL14844339 0.83 ALOX5AP (0.43) ALOX5APFEN1ALDH1A1HPGDHTR2A
SCHEMBL14844552 0.82 ALOX5AP (0.40) ALOX5APFEN1ABCB11ITGB1ITGA4
SCHEMBL14844504 0.82 ALOX5AP (0.40) ALOX5APFEN1ABCB11ITGB1ITGA4
SCHEMBL17510160 0.77 ALOX5AP (0.37) ALOX5APFEN1ABCB11ITGB1ITGA4
SCHEMBL29464818 0.77 ALOX5AP (0.44) ALOX5APFEN1ALDH1A1PTGS2PDE2A
SCHEMBL14844537 0.77 ALOX5AP (0.44) ALOX5APFEN1ALDH1A1PTGS2PDE2A
SCHEMBL14844547 0.76 ALOX5AP (0.38) ALOX5APFEN1ALDH1A1HPGDPTGS2

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 1 patent. 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

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 3846/4885ABCB11 2630/4885

“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.