Sugi Predict

Sugi Predict / Compounds / SCHEMBL2032838

SCHEMBL2032838

SCHEMBL2032838

CCOC(=O)CCc1scc(-c2ccc(OCOC)cc2)c1-c1ccc(Cl)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ PRKCZ Q05513 2/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ CTSA P10619 3/20 0.36
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 4/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL2034142 0.89 FFAR1 (0.46) FFAR1FFAR4CTSAMAPTTP53
SCHEMBL2032980 0.81 POLB (0.40) POLBPRKCZGAAMAPTALDH1A1
SCHEMBL2037390 0.77 FYN (0.38) POLBCTSAGAAMAPTALDH1A1
SCHEMBL2033084 0.76 POLB (0.43) POLBMAPTHPGDRECQLLMNA
SCHEMBL2036531 0.76 PTGDR2 (0.39) POLBFFAR1FFAR4CTSAGAA
SCHEMBL2036530 0.76 PTGDR2 (0.39) POLBFFAR1FFAR4CTSAGAA
SCHEMBL2036758 0.76 FFAR4 (0.42) FFAR1FFAR4CTSAGAAMAPT
SCHEMBL2032086 0.74 HRH2 (0.44) POLBPRKCZMAPTPTPN1ALDH1A1
SCHEMBL2029276 0.72 FYN (0.42) LMNAFYNMEN1KMT2APTGDR2
SCHEMBL2038598 0.69 DNMT3A (0.40) FFAR1FFAR4CTSAGAAMAPT

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 POLB 2148/4885PRKCZ 3636/4885FFAR1 1030/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR POLB 2148/4885PRKCZ 3636/4885FFAR1 1030/4885

“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.