SCHEMBL4069649

SCHEMBL4069649

O=C(O)c1[nH]c2ncc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.56
FFAR4 Q5NUL3 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
MAP2 P11137 1/20 0.41
FABP1 P07148 1/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MAPT P10636 1/20 0.41
KIT P10721 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40

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
SCHEMBL3958851 0.90 SERPINE1 (0.51) SERPINE1FFAR4PTGDR2MAPTKMT2A
SCHEMBL4077968 0.89 SERPINE1 (0.45) SERPINE1FFAR4PTGDR2HDAC1HDAC8
SCHEMBL4072263 0.88 ACLY (0.48) SERPINE1FFAR4MAP2MAPTKIT
SCHEMBL4069651 0.87 SERPINE1 (0.52) SERPINE1FFAR4PTGDR2FABP1HDAC1
SCHEMBL3958387 0.87 SERPINE1 (0.49) SERPINE1PTGDR2MAP2FABP1HDAC1
SCHEMBL4071552 0.87 SERPINE1 (0.44) SERPINE1FFAR4PTGDR2HDAC1HDAC8
SCHEMBL4889486 0.87 SERPINE1 (0.59) SERPINE1FFAR4PTGDR2MAP2HDAC1
SCHEMBL4138421 0.85 SERPINE1 (0.45) SERPINE1FFAR4PTGDR2ROCK2ROCK1
SCHEMBL4138419 0.85 SERPINE1 (0.45) SERPINE1FFAR4PTGDR2ROCK2ROCK1
SCHEMBL3957017 0.84 SERPINE1 (0.54) SERPINE1MAP2MAPTMEN1KMT2A

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
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

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 2109/4885FFAR4 2427/4885PTGDR2 186/4885

“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.