SCHEMBL245423

SCHEMBL245423

COc1ccc(-c2ccn(CCC(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
MAPKAPK2 P49137 3/20 0.41
CHEK2 O96017 1/20 0.40
PARP10 Q53GL7 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP4 Q9UKK3 1/20 0.40
MAP4K4 O95819 1/20 0.40
HTR1D P28221 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.38
NSD2 O96028 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL244137 0.94 PDE4B (0.41) CASP3SENP8SENP7SENP6PLAU
SCHEMBL12694092 0.92 PLAU (0.40) CASP3SENP8SENP7SENP6PLAU
SCHEMBL246204 0.84 PLAU (0.40) PLAUPLATMAPKAPK2CHEK2PARP10
SCHEMBL244388 0.84 PLAU (0.40) PLAUPLATMAPKAPK2CHEK2PARP10
Bicarbonate SCHEMBL12521326 0.83 PLAU (0.42) PLAUPLATMAPKAPK2CHEK2PARP10
SCHEMBL244821 0.83 PLAU (0.40) PLAUPLATMAPKAPK2CHEK2PARP10
SCHEMBL246155 0.82 PLAU (0.41) PLAUPLATMAPKAPK2CHEK2PARP10
SCHEMBL246466 0.81 ADH5 (0.59) HTTNSD2
SCHEMBL248063 0.81 PLAU (0.38) PLAUPLATMAPKAPK2CHEK2PARP10
SCHEMBL244538 0.81 MAPKAPK2 (0.38) PLAUPLATMAPKAPK2CHEK2PARP10

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US claimed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US claimed
US-8642628-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-04 US claimed
EP-2315590-B1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS LLC (US) 2012-09-26 EP claimed
JP-2012500218-A 2012-01-05 JP claimed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US claimed
EP-2315590-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, LLC (US) 2011-05-04 EP claimed
WO-2010019909-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
US-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US disclosed
US-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US disclosed
US-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US disclosed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US disclosed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US disclosed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US disclosed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
EP-2315590-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, LLC (US) 2011-05-04 EP disclosed
WO-2010019909-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO disclosed
WO-2010019909-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2010-02-18 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 (2 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-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR CASP3 4548/4885SENP8 2802/4885SENP7 2435/4885
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR CASP3 4548/4885SENP8 2802/4885SENP7 2435/4885

“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.