SCHEMBL3950696

SCHEMBL3950696

COc1cccc(-c2c(C(=O)O)[nH]c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
GAA P10253 5/20 0.53
CDK5 Q00535 2/20 0.53
CDK5R1 Q15078 2/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
GFER P55789 1/20 0.53
BRD4 O60885 2/20 0.52
SERPINE1 P05121 1/20 0.49
FBP1 P09467 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
PTPN5 P54829 1/20 0.46
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL5152605 0.95 MEN1 (0.51) MEN1KMT2AGAACDK5CDK5R1
SCHEMBL3950737 0.90 MEN1 (0.58) MEN1KMT2AGAACDK5CDK5R1
SCHEMBL4931881 0.89 HIF1A (0.51) MEN1KMT2AGAACDK5CDK5R1
SCHEMBL3945167 0.89 BRD4 (0.61) MEN1KMT2AGFERBRD4SERPINE1
SCHEMBL3945225 0.88 BRD4 (0.54) MEN1KMT2AGAAGFERBRD4
SCHEMBL4934791 0.88 UQCRB (0.57) MEN1KMT2AGAACDK5CDK5R1
SCHEMBL3950699 0.88 BRD4 (0.50) MEN1KMT2AGAACDK5CDK5R1
SCHEMBL3949320 0.88 CA1 (0.48) MEN1KMT2AGAACDK5CDK5R1
SCHEMBL3944980 0.88 BRD4 (0.53) MEN1KMT2AGAAGFERBRD4
SCHEMBL3950142 0.88 BRD4 (0.53) MEN1KMT2ABRD4SERPINE1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP disclosed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
EP-1802572-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2007-07-04 EP disclosed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 US disclosed
WO-2006032541-A1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-30 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 (2 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-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY2, ADCY5 MEN1 712/4885KMT2A 4518/4885GAA 791/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 MEN1 712/4885KMT2A 4518/4885GAA 791/4885

“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.