SCHEMBL245536

SCHEMBL245536

COc1ccc(-c2ccn(-c3ccc(C(=O)O)cn3)c2-c2ccc(C(N)=O)cc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.44
CHEK2 O96017 2/20 0.44
EGLN1 Q9GZT9 1/20 0.42
MAPKAPK2 P49137 3/20 0.41
PTPN11 Q06124 6/20 0.41
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
MAPT P10636 1/20 0.38
NSD2 O96028 1/20 0.38
ADH5 P11766 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL248182 0.91 CHEK2 (0.44) MAP4K4CHEK2MAPKAPK2PTPN11PLAU
SCHEMBL242923 0.85 PTPN11 (0.46) MAP4K4CHEK2MAPKAPK2PTPN11PLAU
SCHEMBL243838 0.84 MAPKAPK2 (0.45) MAP4K4CHEK2MAPKAPK2PTPN11PLAU
SCHEMBL245768 0.81 MAPKAPK2 (0.45) MAP4K4CHEK2MAPKAPK2PTPN11PLAU
SCHEMBL249222 0.79 SMN1; SMN2 (0.41) MAP4K4CHEK2MAPKAPK2PTPN11PLAU
SCHEMBL245309 0.79 SMN1; SMN2 (0.41) CHEK2MAPKAPK2PLAUPLATSMN1; SMN2
SCHEMBL244774 0.78 SMN1; SMN2 (0.41) MAP4K4CHEK2MAPKAPK2PTPN11PLAU
SCHEMBL242932 0.78 SMN1; SMN2 (0.41) MAP4K4CHEK2MAPKAPK2PTPN11PLAU
SCHEMBL242470 0.77 PLAU (0.40) MAP4K4CHEK2MAPKAPK2PLAUPLAT
SCHEMBL244225 0.76 CA9 (0.46) MAPKAPK2

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 25 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 MAP4K4 4290/4885CHEK2 3530/4885EGLN1 1830/4885
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR MAP4K4 4290/4885CHEK2 3530/4885EGLN1 1830/4885

“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.