Sugi Predict

Sugi Predict / Compounds / SCHEMBL2038396

SCHEMBL2038396

SCHEMBL2038396

COc1cc(Cl)ccc1-c1csc(C=CC(=O)O)c1-c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ PKM P14618 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ SNCA P37840 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CSNK2A3 Q8NEV1 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ AR P10275 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
SCHEMBL2038393 1.00 ESR1 (0.37) ESR1KDM4EPKMCA12CA1
SCHEMBL2030730 0.91 ALDH1A1 (0.36) KDM4EPKMCA12CA1CA2
SCHEMBL2030733 0.91 ALDH1A1 (0.36) KDM4EPKMCA12CA1CA2
SCHEMBL2028943 0.86 CPT1A (0.41) CPT1ACPT1BMAPT
SCHEMBL2032612 0.86 CPT1A (0.41) CPT1ACPT1BMAPT
SCHEMBL2036530 0.79 PTGDR2 (0.39) KDM4EPKMCYP1A2CYP3A4CYP2C9
SCHEMBL2036531 0.79 PTGDR2 (0.39) KDM4EPKMCYP1A2CYP3A4CYP2C9
SCHEMBL2038598 0.78 DNMT3A (0.40) KDM4ECYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL15385235 0.77 CYP17A1 (0.42) PKMCPT1ACPT1B
SCHEMBL2031726 0.77 CYP17A1 (0.42) PKMCPT1ACPT1B

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 ESR1 1366/4885KDM4E 1324/4885PKM 3655/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR ESR1 1366/4885KDM4E 1324/4885PKM 3655/4885

“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.