SCHEMBL1831245

SCHEMBL1831245

CS(=O)(=O)c1cccc2c1C(=O)OC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TYMS P04818 5/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STAT3 P40763 1/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.34
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
KLK7 P49862 1/20 0.33
KLK14 Q9P0G3 1/20 0.33
KLK5 Q9Y337 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
PTGS2 P35354 1/20 0.32
MAOA P21397 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
SCHEMBL766110 0.84 ALOX15 (0.46) ALOX15TDP1TYMSALDH1A1SMN1; SMN2
SCHEMBL1829028 0.81 TDP1 (0.40) ALOX15TDP1TYMSALDH1A1SMN1; SMN2
SCHEMBL17894508 0.81 TDP1 (0.43) ALOX15TDP1TYMSALDH1A1SMN1; SMN2
SCHEMBL2281726 0.81 ALOX15 (0.43) ALOX15TDP1TYMSALDH1A1SMN1; SMN2
SCHEMBL3192467 0.77 HTR6 (0.46) ALOX15TDP1TYMSKMT2ATSHR
SCHEMBL31548711 0.74 TDP1 (0.60) ALOX15TDP1TYMSALDH1A1SMN1; SMN2
SCHEMBL2087097 0.74 TDP1 (0.60) ALOX15TDP1TYMSALDH1A1SMN1; SMN2
SCHEMBL3473753 0.73 ALOX15 (0.43) ALOX15TDP1TYMSALDH1A1SMN1; SMN2
SCHEMBL550665 0.73 TDP1 (0.39) ALOX15TDP1TYMSALDH1A1SMN1; SMN2
SCHEMBL9091651 0.73 KEAP1 (0.47) ALOX15TDP1ALDH1A1SMN1; SMN2RAB9A

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
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 ALOX15 3948/4885TDP1 4411/4885TYMS 4155/4885

“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.