SCHEMBL2333989

SCHEMBL2333989

Cc1sc2cc(O)ccc2c(=O)c1-c1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 16/20 0.51
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ESR2 Q92731 1/20 0.39

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
SCHEMBL2331734 0.81 ESR1 (0.56) ESR1KDM4EALDH1A1ESR2
SCHEMBL2332018 0.80 PTPN1 (0.47) ESR1ESR2
SCHEMBL17516321 0.76 ESR1 (0.39) ESR1KDM4EALDH1A1ESR2
SCHEMBL2361513 0.76 ESR1 (0.39) ESR1KDM4EALDH1A1ESR2
SCHEMBL2332295 0.74 ALDH1A1 (0.76) ESR1KDM4EALDH1A1ESR2
SCHEMBL2332170 0.73 CA1 (0.47) KDM4EALDH1A1
SCHEMBL1616936 0.72 ESR1 (0.51) ESR1ESR2
SCHEMBL5038858 0.72 ESR1 (0.45) ESR1ESR2
SCHEMBL2327901 0.69 ESR1 (0.63) ESR1KDM4EALDH1A1ESR2
SCHEMBL2332816 0.69 ALDH1A1 (0.54) ESR1KDM4EALDH1A1ESR2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 — — US claimed
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-02-18 — — US claimed
EP-2533638-B1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS NIVALIS THERAPEUTICS INC (US) 2016-02-10 — — EP claimed
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-09-18 — — US claimed
US-8759548-B2 S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-24 — — US claimed
CN-102869255-A Novel S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-01-09 — — CN claimed
EP-2533638-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2012-12-19 — — EP claimed
US-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-11-15 — — US claimed
WO-2011100433-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-08-18 — — WO claimed
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 — — US disclosed
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 — — US disclosed
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 — — US disclosed
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-02-18 — — US disclosed
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-02-18 — — US disclosed
EP-2533638-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2012-12-19 — — EP disclosed
US-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-11-15 — — US disclosed
US-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-11-15 — — US disclosed
US-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-11-15 — — US disclosed
WO-2011100433-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-08-18 — — WO disclosed
WO-2011100433-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-08-18 — — 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 (3 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-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR ESR1 1525/4885KDM4E 2028/4885ALDH1A1 344/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR ESR1 1525/4885KDM4E 2028/4885ALDH1A1 344/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR ESR1 1525/4885KDM4E 2028/4885ALDH1A1 344/4885

“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.

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