SCHEMBL3983700

SCHEMBL3983700

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)NCCN4CCOCC4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
SERPINE1 P05121 1/20 0.47
CD274 Q9NZQ7 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 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
SCHEMBL3983675 0.96 ALDH1A1 (0.46) LMNASERPINE1ALDH1A1JAK2JAK1
SCHEMBL4618697 0.91 ALDH1A1 (0.45) LMNASERPINE1ALDH1A1CYP1A2CYP2D6
SCHEMBL3981129 0.88 SERPINE1 (0.46) LMNASERPINE1CD274HPGDALDH1A1
SCHEMBL4087564 0.86 SERPINE1 (0.51) SERPINE1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3943840 0.85 ALDH1A1 (0.47) LMNASERPINE1CD274HPGDALDH1A1
SCHEMBL3982480 0.85 SERPINE1 (0.51) SERPINE1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3982591 0.84 SERPINE1 (0.50) SERPINE1HPGDALDH1A1CYP1A2CYP2D6
SCHEMBL3982872 0.84 ALDH1A1 (0.52) SERPINE1CD274HPGDALDH1A1CYP1A2
SCHEMBL3983571 0.84 SERPINE1 (0.45) SERPINE1HPGDALDH1A1CYP1A2CYP2D6
SCHEMBL3989040 0.84 SERPINE1 (0.46) LMNASERPINE1ALDH1A1CYP1A2CYP2D6

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 LMNA 3536/4885SERPINE1 692/4885CD274 4463/4885

“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.