SCHEMBL2331734

SCHEMBL2331734

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 12/20 0.56
▸ MMP3 P08254 1/20 0.41
▸ ESR2 Q92731 1/20 0.39
▸ HSD17B3 P37058 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ WEE1 P30291 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL2330837 0.82 CLK1 (0.44) ESR1KDM4EALDH1A1CA2
SCHEMBL2333989 0.81 ESR1 (0.51) ESR1ESR2KDM4EALDH1A1
SCHEMBL17516321 0.75 ESR1 (0.39) ESR1ESR2KDM4EALDH1A1
SCHEMBL2361513 0.75 ESR1 (0.39) ESR1ESR2KDM4EALDH1A1
SCHEMBL5038858 0.71 ESR1 (0.45) ESR1ESR2
SCHEMBL14185204 0.70 ALDH1A1 (0.50) ESR1ESR2HSD17B3KDM4EALDH1A1
SCHEMBL2329991 0.69 ESR1 (0.76) ESR1ESR2HSD17B3KDM4EALDH1A1
SCHEMBL15003270 0.68 MAOA (0.49) ESR1ESR2KDM4EALDH1A1CA2
SCHEMBL5040157 0.68 ESR1 (0.58) ESR1
SCHEMBL28456601 0.67 G6PD (0.47) KDM4ECA2

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 10 patents. 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 disclosed
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-02-18 — — US disclosed
EP-2533638-B1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS NIVALIS THERAPEUTICS INC (US) 2016-02-10 — — EP disclosed
US-9187447-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-11-17 — — US disclosed
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-8759548-B2 S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-24 — — US disclosed
CN-102869255-A Novel S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-01-09 — — CN 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
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 1525/4885MMP3 3762/4885ESR2 1075/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR ESR1 1525/4885MMP3 3762/4885ESR2 1075/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR ESR1 1525/4885MMP3 3762/4885ESR2 1075/4885

“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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