SCHEMBL3941791

SCHEMBL3941791

COc1ccc(CNC(=O)c2[nH]c3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3c2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.51
BACE1 P56817 2/20 0.50
SERPINE1 P05121 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
GFER P55789 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 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
SCHEMBL3943902 0.93 BRD4 (0.56) BRD4SERPINE1MEN1KMT2ARAB9A
SCHEMBL3944661 0.91 BRD4 (0.53) BRD4SERPINE1MEN1KMT2AEPHX2
SCHEMBL3943055 0.91 BRD4 (0.52) BRD4BACE1SERPINE1MEN1KMT2A
SCHEMBL3953084 0.90 BRD4 (0.52) BRD4SERPINE1MEN1KMT2ARAB9A
SCHEMBL3950835 0.89 BRD4 (0.52) BRD4SERPINE1MEN1KMT2ANPC1
SCHEMBL3952224 0.88 BRD4 (0.49) BRD4BACE1SERPINE1MEN1KMT2A
SCHEMBL3946187 0.86 BRD4 (0.52) BRD4SERPINE1MEN1KMT2ARAB9A
SCHEMBL3951586 0.86 SERPINE1 (0.53) BRD4SERPINE1MEN1KMT2ACA12
SCHEMBL3950703 0.86 SERPINE1 (0.53) BRD4BACE1SERPINE1MEN1KMT2A
SCHEMBL3953102 0.86 BRD4 (0.51) BRD4SERPINE1MEN1KMT2AGAA

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
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP claimed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 US claimed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20080004268-A1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE NGUYEN DUY 2008-01-03 US disclosed
US-20060074084-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-06 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 (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 3928/4885BACE1 2543/4885SERPINE1 688/4885
US-20060074084-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 BRD4 3928/4885BACE1 2543/4885SERPINE1 688/4885

“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.