SCHEMBL5080803

SCHEMBL5080803

Cc1nn(C)c(O)c1C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.41
NR1I2 O75469 2/20 0.41
MCL1 Q07820 1/20 0.38
SCN9A Q15858 2/20 0.35
PDE2A O00408 1/20 0.35
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR3C1 P04150 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL119221 0.99 CACNA1B (0.41) CACNA1BNR1I2MCL1SCN9APDE2A
SCHEMBL5077281 0.98 CACNA1B (0.41) CACNA1BNR1I2MCL1SCN9APDE2A
Bromoxynil SCHEMBL18489656 0.86 CACNA1B (0.38) CACNA1BNR1I2MCL1NR3C1
SCHEMBL19391755 0.86 CACNA1B (0.38) CACNA1BNR1I2MCL1SCN9APDE2A
SCHEMBL1965010 0.85 CACNA1B (0.38) CACNA1BNR1I2PDE2A
SCHEMBL22443243 0.85 CACNA1B (0.39) CACNA1BNR1I2MCL1SCN9APDE2A
3,6 Dichloromethoxybenzoic Acid SCHEMBL17927051 0.85 KDM4E (0.40) CACNA1BNR1I2MCL1ALDH1A1KDM4E
Glyphosate SCHEMBL20723895 0.84 PTGDR2 (0.33) CACNA1BNR1I2MCL1SCN9ANR3C1
SCHEMBL677603 0.83 SPR (0.38) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27934056 0.83 AR (0.36) ALDH1A1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076268-B2 Liquid formulations containing dialkyl sulfosuccinate and hydroxyphenylpyruvate dioxygenase inhibitors BAYER CROPSCIENCE AG (DE) 2011-12-13 US disclosed
US-20080305953-A1 Liquid Formulations Containing Dialkyl Sulfosuccinate And Hydroxyphenylpyruvate Dioxygenase Inhibitors BAYER CROPSCIENCE AG (DE) 2008-12-11 US disclosed
CN-101316507-A Liquid formulations containing dialkyl sulfosuccinate and hydroxyphenylpyruvate dioxygenase inhibitors BAYER CROPSCIENCE AG (DE) 2008-12-03 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-20080305953-A1 Liquid Formulations Containing Dialkyl Sulfosuccinate And Hydroxyphenylpyruvate Dioxygenase Inhibitors HPD, DDT, HAAO CACNA1B 4687/4885NR1I2 3505/4885MCL1 3906/4885

“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.