SCHEMBL3944980

SCHEMBL3944980

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)O)c(-c4cccc(F)c4)c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
SERPINE1 P05121 1/20 0.53
PTPN5 P54829 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GFER P55789 2/20 0.47
UQCRB P14927 2/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
GAA P10253 1/20 0.45
FBP1 P09467 1/20 0.45
IKBKB O14920 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL3945167 0.91 BRD4 (0.61) BRD4SERPINE1PTPN5MEN1KMT2A
SCHEMBL3943963 0.90 BRD4 (0.52) BRD4SERPINE1PTPN5MEN1KMT2A
SCHEMBL3945225 0.90 BRD4 (0.54) BRD4SERPINE1PTPN5MEN1KMT2A
SCHEMBL4934791 0.90 UQCRB (0.57) BRD4SERPINE1PTPN5MEN1KMT2A
SCHEMBL3950142 0.89 BRD4 (0.53) BRD4SERPINE1PTPN5MEN1KMT2A
Dimethylamine SCHEMBL4931369 0.89 BRD4 (0.59) BRD4SERPINE1PTPN5MEN1KMT2A
SCHEMBL4927787 0.88 BRD4 (0.52) BRD4SERPINE1PTPN5MEN1KMT2A
SCHEMBL4927088 0.88 BRD4 (0.50) BRD4SERPINE1PTPN5MEN1KMT2A
SCHEMBL4926342 0.88 BRD4 (0.52) BRD4SERPINE1PTPN5MEN1KMT2A
SCHEMBL4929144 0.88 HIF1A (0.52) BRD4SERPINE1MEN1KMT2AGFER

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 BRD4 3928/4885SERPINE1 688/4885PTPN5 1567/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 BRD4 3928/4885SERPINE1 688/4885PTPN5 1567/4885

“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.