Sugi Predict

Sugi Predict / Compounds / SCHEMBL2029276

SCHEMBL2029276

SCHEMBL2029276

COCOc1ccc(-c2cscc2-c2ccc(Cl)cc2OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.42
▸ GRM5 P41594 2/20 0.38
▸ PTGS2 P35354 3/20 0.37
▸ PTGS1 P23219 2/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CRHR1 P34998 3/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ S1PR1 P21453 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
SCHEMBL2035243 0.80 ESR1 (0.51) PTGS2PTGS1CYP1A1CYP1B1HSP90AA1
SCHEMBL2034022 0.80 CYP1A1 (0.46) PTGS2PTGS1CYP1A1CYP1B1HSP90AA1
SCHEMBL2037390 0.78 FYN (0.38) FYNGRM5PTGDR2CYP1A1CYP1B1
SCHEMBL2034142 0.75 FFAR1 (0.46) PTGDR2
SCHEMBL2036531 0.74 PTGDR2 (0.39) FYNPTGDR2NPSR1HTT
SCHEMBL2036530 0.74 PTGDR2 (0.39) FYNPTGDR2NPSR1HTT
SCHEMBL2032838 0.72 POLB (0.39) FYNPTGDR2MEN1KMT2ALMNA
SCHEMBL812098 0.69 MAOB (0.44) PTGS2MAOBMEN1KMT2A
SCHEMBL16705735 0.68 S1PR4 (0.46) NPSR1MEN1KMT2ALMNA
SCHEMBL17625693 0.68 EGFR (0.61) FYN

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 FYN 2059/4885GRM5 333/4885PTGS2 245/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR FYN 2059/4885GRM5 333/4885PTGS2 245/4885

“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.