Sugi Predict

Sugi Predict / Compounds / SCHEMBL2052344

SCHEMBL2052344

SCHEMBL2052344

Cc1nccn1-c1ccc(-c2c(-c3ccc(C#N)cc3)csc2C=CC(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ PORCN Q9H237 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPKAPK2 P49137 3/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ MYC P01106 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ ADH5 P11766 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33

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
SCHEMBL2052343 1.00 CYP3A4 (0.37) CYP3A4CYP2D6PORCNALDH1A1MAPKAPK2
SCHEMBL2049053 1.00 CYP3A4 (0.37) CYP3A4CYP2D6PORCNALDH1A1MAPKAPK2
SCHEMBL2049052 1.00 CYP3A4 (0.37) CYP3A4CYP2D6PORCNALDH1A1MAPKAPK2
SCHEMBL2050458 0.90 EIF4E (0.35) CYP3A4CYP2D6PORCNALDH1A1MAPKAPK2
SCHEMBL2050457 0.90 EIF4E (0.35) CYP3A4CYP2D6PORCNALDH1A1MAPKAPK2
SCHEMBL2051983 0.86 ALDH1A1 (0.46) CYP3A4CYP2D6PORCNALDH1A1MAPKAPK2
SCHEMBL2052596 0.86 ALDH1A1 (0.46) CYP3A4CYP2D6PORCNALDH1A1MAPKAPK2
SCHEMBL2032783 0.83 PSEN1 (0.43) CYP3A4CYP2D6PORCNALDH1A1PDE4A
SCHEMBL12541094 0.83 PSEN1 (0.43) CYP3A4CYP2D6PORCNALDH1A1PDE4A
SCHEMBL2052330 0.77 ALDH1A1 (0.42) CYP3A4CYP2D6PORCNALDH1A1MAPKAPK2

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
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-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
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 CYP3A4 150/4885CYP2D6 193/4885PORCN 718/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR CYP3A4 150/4885CYP2D6 193/4885PORCN 718/4885

“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.