SCHEMBL3989040

SCHEMBL3989040

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)NC4CCOCC4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
BRD4 O60885 1/20 0.44
PTPN5 P54829 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FPR1 P21462 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC11 Q96DB2 2/20 0.39

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
SCHEMBL3983520 0.93 SERPINE1 (0.48) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3983511 0.92 SERPINE1 (0.47) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3982486 0.87 SERPINE1 (0.45) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3946013 0.84 BRD4 (0.50) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3983700 0.84 LMNA (0.48) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3984770 0.83 SERPINE1 (0.58) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3981321 0.83 ALDH1A1 (0.53) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3983675 0.83 ALDH1A1 (0.46) SERPINE1ALDH1A1HIF1ALMNASMN1; SMN2
SCHEMBL4087564 0.82 SERPINE1 (0.51) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3982480 0.82 SERPINE1 (0.51) SERPINE1ALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888058-B1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-05-20 EP claimed
US-7417066-B2 Inhibitors of soluble adenylate cyclase SCHERING AG (DE) 2008-08-26 US claimed
EP-1888058-A2 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2008-02-20 EP claimed
WO-2006131398-A2 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-14 WO claimed
US-20060281744-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-14 US claimed
EP-1888058-B1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-05-20 EP disclosed
EP-1888058-B1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-05-20 EP disclosed
US-7417066-B2 Inhibitors of soluble adenylate cyclase SCHERING AG (DE) 2008-08-26 US disclosed
US-7417066-B2 Inhibitors of soluble adenylate cyclase SCHERING AG (DE) 2008-08-26 US disclosed
US-7417066-B2 Inhibitors of soluble adenylate cyclase SCHERING AG (DE) 2008-08-26 US disclosed
EP-1888058-A2 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2008-02-20 EP disclosed
WO-2006131398-A2 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-14 WO disclosed
US-20060281744-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-14 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-20060281744-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCY5 SERPINE1 692/4885ALDH1A1 262/4885MEN1 927/4885

“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.