Sugi Predict

Sugi Predict / Compounds / SCHEMBL2033079

SCHEMBL2033079

SCHEMBL2033079

CCOC(=O)CCc1scc(-c2ccc(Br)cc2)c1-c1ccc(C#N)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ S1PR1 P21453 1/20 0.36
▸ EIF4E P06730 1/20 0.35
▸ USP14 P54578 1/20 0.35
▸ THRB P10828 2/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL2033179 0.90 PRKCZ (0.43) HRH2HRH1S1PR1EIF4EUSP14
SCHEMBL2032086 0.90 HRH2 (0.44) HRH2HRH1THRBALKMAPT
SCHEMBL2032724 0.80 USP14 (0.39) HRH2HRH1S1PR1USP14THRB
SCHEMBL2049610 0.74 POLB (0.38) HRH2HRH1USP14ALKKDM4E
SCHEMBL2035388 0.73 USP14 (0.41) HRH2HRH1EIF4EUSP14CYP4F2
SCHEMBL2053042 0.72 POLB (0.41) USP14TP53MAPTKDM4ESMN1; SMN2
SCHEMBL1835610 0.71 POLB (0.48) USP14TP53MAPTKDM4ESMN1; SMN2
SCHEMBL17629909 0.71 MAOA (0.43) HRH2HRH1S1PR1
SCHEMBL6050760 0.71 CYP4F2 (0.50) CYP4F2CYP4A11MAPTKDM4ESMN1; SMN2
SCHEMBL2033738 0.70 PRKCZ (0.41) HRH2HRH1S1PR1EIF4EMAPT

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 HRH2 3451/4885HRH1 3851/4885S1PR1 1390/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR HRH2 3451/4885HRH1 3851/4885S1PR1 1390/4885

“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.