SCHEMBL3979859

SCHEMBL3979859

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)Nc4ccncc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SERPINE1 P05121 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
USP2 O75604 1/20 0.49
PKM P14618 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
NAMPT P43490 1/20 0.48
BRD4 O60885 1/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL3985810 0.86 SERPINE1 (0.49) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL3984770 0.86 SERPINE1 (0.58) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL3980708 0.84 SERPINE1 (0.52) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL4087564 0.83 SERPINE1 (0.51) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL3982480 0.83 SERPINE1 (0.51) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL3947425 0.83 BRD4 (0.53) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL14079336 0.82 SERPINE1 (0.50) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL3983520 0.82 SERPINE1 (0.48) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL14079335 0.82 SERPINE1 (0.54) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL3982591 0.82 SERPINE1 (0.50) ALDH1A1MEN1KMT2APOLBNPSR1

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 12 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
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 262/4885MEN1 927/4885KMT2A 4556/4885

“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.