SCHEMBL3048018

SCHEMBL3048018

CS(=O)(=O)c1cccc2ncn(CC(=O)O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
CSNK2A2 P19784 2/20 0.42
CSNK2A1 P68400 2/20 0.42
ADORA2B P29275 1/20 0.42
EGLN3 Q9H6Z9 1/20 0.41
HDAC6 Q9UBN7 1/20 0.39
APAF1 O14727 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 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
SCHEMBL3035072 0.85 ALDH1A1 (0.42) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL3037883 0.84 PTGS2 (0.41) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL3042416 0.81 DPP4 (0.41) ADORA2BEGLN3APAF1HSD17B13PPARG
SCHEMBL3042764 0.81 PTGS2 (0.48) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL14291770 0.79 PTGS2 (0.49) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL306478 0.78 PTGS2 (0.46) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL306565 0.78 PTGS2 (0.48) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL308328 0.78 PTGS2 (0.48) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL3038500 0.78 CSNK2A2 (0.53) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3
SCHEMBL306877 0.75 STAT3 (0.47) PTGS2CSNK2A2CSNK2A1ADORA2BEGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP claimed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US claimed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN claimed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP claimed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 WO claimed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US disclosed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI PTGS2 2329/4885CSNK2A2 1672/4885CSNK2A1 1707/4885

“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.