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Sugi Predict / Compounds / SCHEMBL2032980

SCHEMBL2032980

SCHEMBL2032980

CCOC(=O)CCc1scc(-c2ccc(Cl)cc2OC)c1-c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ DNMT3A Q9Y6K1 1/20 0.38
▸ PRKCZ Q05513 2/20 0.38
▸ CNR2 P34972 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2E1 P05181 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP4B1 P13584 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ CYP3A5 P20815 1/20 0.35
▸ CYP2A7 P20853 1/20 0.35
▸ CYP3A7 P24462 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
SCHEMBL2038598 0.88 DNMT3A (0.40) DNMT3AGAAKMT2ACYP1A1CYP1A2
SCHEMBL2033084 0.86 POLB (0.43) POLBKMT2ALMNAMAPTHPGD
SCHEMBL2032838 0.81 POLB (0.39) POLBPRKCZGAAKMT2AL3MBTL1
SCHEMBL2036758 0.81 FFAR4 (0.42) DNMT3AGAACYP1A1CYP1A2CYP2E1
SCHEMBL2035207 0.78 CTSA (0.43) POLBPRKCZCYP1A2CYP3A4CYP2C9
SCHEMBL12642393 0.75 ALDH1A1 (0.41) POLBPRKCZGAACYP1A2CYP3A4
SCHEMBL2029886 0.74 CPT1A (0.41) POLBTP53
SCHEMBL2038396 0.73 ESR1 (0.37) DNMT3AGAACYP1A1CYP1A2CYP2E1
SCHEMBL6050760 0.71 CYP4F2 (0.50) POLBGAAKMT2ACYP4F2CYP4A11
SCHEMBL15759922 0.69 FFAR4 (0.43) GAAKMT2ACYP1A1CYP1A2CYP2E1

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 2148/4885DNMT3A 2984/4885PRKCZ 3636/4885
US-20120245210-A1 Novel Thiophene Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR POLB 2148/4885DNMT3A 2984/4885PRKCZ 3636/4885

“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.