SCHEMBL2052618

SCHEMBL2052618

Cc1nccn1-c1ccc(-c2csc(CCC(=O)O)c2-c2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 4/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
PORCN Q9H237 1/20 0.41
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
ALDH1A1 P00352 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
ATM Q13315 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL2052999 1.00 ADH5 (0.41) ADH5CYP2C19CYP3A4CYP2D6PORCN
SCHEMBL15759908 0.94 CYP3A4 (0.38) ADH5CYP2C19CYP3A4CYP2D6PORCN
SCHEMBL2051693 0.91 ADH5 (0.45) ADH5CYP2C19CYP3A4CYP2D6PORCN
SCHEMBL2049603 0.78 CYP3A4 (0.40) ADH5CYP2C19CYP3A4CYP2D6PORCN
SCHEMBL2053042 0.78 POLB (0.41) ADH5CYP2C19CYP3A4CYP2D6PORCN
SCHEMBL2050764 0.75 ADH5 (0.37) ADH5CYP2C19PDE4APDE4BPDE4C
SCHEMBL243641 0.72 ADH5 (0.75) ADH5CYP2C19ALDH1A1ATMMAPT
SCHEMBL16198288 0.72 ALDH1A1 (0.51) CYP2C19CYP3A4CYP2D6PORCNPDE4A
SCHEMBL10669696 0.71 KMT2A (0.53) ADH5CYP2C19CYP3A4CYP2D6PORCN
SCHEMBL2030431 0.69 MEN1 (0.38) ADH5CYP2C19ALDH1A1MAPTPRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859611-B2 Thiophene inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-10-14 US claimed
US-20140057957-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-27 US claimed
US-8586624-B2 Thiophene inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2013-11-19 US claimed
EP-2512247-A1 NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, LLC (US) 2012-10-24 EP claimed
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-09-27 US claimed
WO-2011075478-A1 NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2011-06-23 WO claimed
US-8859611-B2 Thiophene inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859611-B2 Thiophene inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859611-B2 Thiophene inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
EP-2512247-B1 NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS INC (US) 2014-06-04 EP disclosed
US-20140057957-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-27 US disclosed
US-20140057957-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-27 US disclosed
US-20140057957-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-27 US disclosed
US-8586624-B2 Thiophene inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2013-11-19 US disclosed
EP-2512247-A1 NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, LLC (US) 2012-10-24 EP disclosed
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-09-27 US disclosed
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-09-27 US disclosed
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-09-27 US disclosed
WO-2011075478-A1 NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2011-06-23 WO disclosed
WO-2011075478-A1 NOVEL THIOPHENE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2011-06-23 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-20140057957-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR ADH5 85/4885CYP2C19 152/4885CYP3A4 150/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR ADH5 85/4885CYP2C19 152/4885CYP3A4 150/4885

“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.