SCHEMBL4887087

SCHEMBL4887087

COc1cc(SC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CDK1 P06493 1/20 0.48
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL29388552 0.92 GAA (0.49) GAACDK1MAPTTP53GLA
SCHEMBL941471 0.92 GAA (0.49) GAACDK1MAPTTP53GLA
SCHEMBL10469643 0.90 GAA (0.59) GAACDK1MAPTTP53GLA
SCHEMBL10506007 0.86 TSHR (0.53) GAACDK1MAPTTP53GLA
SCHEMBL119097 0.86 GAA (0.52) GAACDK1MAPTTP53GLA
SCHEMBL29371340 0.86 GAA (0.52) GAACDK1MAPTTP53GLA
SCHEMBL3633898 0.86 GAA (0.47) GAACDK1MAPTTP53GLA
SCHEMBL10364232 0.85 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL11246536 0.84 CDK1 (0.51) GAACDK1MAPTTP53GLA
SCHEMBL2813577 0.83 MAPT (0.45) GAACDK1MAPTTP53GLA

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-20080269052-A1 USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS BAYER CROPSCIENCE AG (DE) 2008-10-30 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-20080269052-A1 USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS CBR3, CBR1, CYP4Z1 GAA 3537/4885CDK1 1483/4885MAPT 4845/4885

“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.