SCHEMBL3957017

SCHEMBL3957017

CC(C)(C)c1ccc(S(=O)(=O)Nc2cnc3[nH]c(C(=O)O)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.54
BRD4 O60885 1/20 0.49
PTPN5 P54829 1/20 0.48
UQCRB P14927 2/20 0.47
ALDH1A1 P00352 5/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B2 P37059 1/20 0.45
PIK3CA P42336 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
IKBKB O14920 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL13910226 0.93 SERPINE1 (0.51) SERPINE1BRD4PTPN5UQCRBALDH1A1
SCHEMBL4142121 0.92 MAP2 (0.54) SERPINE1BRD4PTPN5UQCRBALDH1A1
SCHEMBL4072263 0.90 ACLY (0.48) SERPINE1PTPN5MAP2MAPT
SCHEMBL3958387 0.90 SERPINE1 (0.49) SERPINE1UQCRBALDH1A1POLBMEN1
SCHEMBL3957351 0.89 SERPINE1 (0.49) SERPINE1BRD4PTPN5UQCRBALDH1A1
SCHEMBL4077703 0.89 PTPN5 (0.45) SERPINE1BRD4PTPN5UQCRBALDH1A1
SCHEMBL3957157 0.88 HIF1A (0.52) SERPINE1BRD4UQCRBALDH1A1POLB
SCHEMBL4072961 0.88 PTPN5 (0.45) SERPINE1BRD4PTPN5UQCRBALDH1A1
SCHEMBL4144514 0.88 ALDH1A1 (0.49) SERPINE1BRD4PTPN5UQCRBALDH1A1
SCHEMBL13906321 0.88 SERPINE1 (0.48) SERPINE1BRD4PTPN5UQCRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP claimed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
EP-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed
EP-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed
WO-2009030725-A2 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-12 WO disclosed
WO-2009030725-A2 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-12 WO 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-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY5, ADCY2 SERPINE1 2109/4885BRD4 3109/4885PTPN5 767/4885

“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.