SCHEMBL3983675

SCHEMBL3983675

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)NCCCN4CCOCC4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.46
SERPINE1 P05121 1/20 0.46
TACR2 P21452 2/20 0.46
BDKRB1 P46663 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
UBE2N P61088 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL3983700 0.96 LMNA (0.48) ALDH1A1SERPINE1MAPK1JAK2JAK1
SCHEMBL4618697 0.92 ALDH1A1 (0.45) ALDH1A1KDM4EPKMSERPINE1TACR2
SCHEMBL3983571 0.89 SERPINE1 (0.45) ALDH1A1KDM4EPKMSERPINE1TACR2
SCHEMBL3948275 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EPKMSERPINE1TACR2
SCHEMBL3982665 0.85 SERPINE1 (0.47) ALDH1A1SERPINE1HIF1AMAPT
SCHEMBL4087564 0.84 SERPINE1 (0.51) ALDH1A1SERPINE1HIF1AMAPTCA1
SCHEMBL3981129 0.84 SERPINE1 (0.46) ALDH1A1SERPINE1TACR2MAPK1RAB9A
SCHEMBL3982480 0.84 SERPINE1 (0.51) ALDH1A1SERPINE1HIF1AMAPT
SCHEMBL3982591 0.83 SERPINE1 (0.50) ALDH1A1KDM4EPKMSERPINE1BDKRB1
SCHEMBL3989040 0.83 SERPINE1 (0.46) ALDH1A1SERPINE1HIF1ASMN1; SMN2LMNA

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 10 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
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
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 ALDH1A1 262/4885KDM4E 4160/4885PKM 2673/4885

“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.