SCHEMBL2035388

SCHEMBL2035388

CCOC(=O)CCc1cscc1-c1ccc(C#N)cc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP14 P54578 2/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AB1 P08238 1/20 0.35
EIF4E P06730 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL2032724 0.81 USP14 (0.39) USP14CYP4F2CYP4A11HRH2HRH1
SCHEMBL11116312 0.74 CYP4F2 (0.47) USP14CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL2033179 0.73 PRKCZ (0.43) USP14CYP4F2CYP4A11HRH2HRH1
SCHEMBL2033079 0.73 HRH2 (0.41) USP14CYP4F2CYP4A11HRH2HRH1
SCHEMBL31564200 0.73 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1GAAKDM4E
SCHEMBL2032086 0.72 HRH2 (0.44) HRH2HRH1ALDH1A1KDM4E
SCHEMBL19209418 0.71 PPARG (0.44) HRH2HRH1ALDH1A1PDCD1CD274
SCHEMBL30088492 0.71 PDCD1 (0.45) USP14HRH2HRH1ALDH1A1PDCD1
SCHEMBL15752905 0.71 PDCD1 (0.45) USP14HRH2HRH1ALDH1A1PDCD1
SCHEMBL4506493 0.70 CYP4F2 (0.66) USP14CYP4F2CYP4A11ALDH1A1FFAR1

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 USP14 1568/4885CYP4F2 86/4885CYP4A11 209/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR USP14 1568/4885CYP4F2 86/4885CYP4A11 209/4885

“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.