SCHEMBL2329035

SCHEMBL2329035

COC(=O)c1csc(-c2c(C(F)(F)F)oc3cc(O)ccc3c2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.54
▸ ESR2 Q92731 5/20 0.54
▸ PSD A5PKW4 1/20 0.49
▸ LMNA P02545 4/20 0.48
▸ ALDH1A1 P00352 8/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TTR P02766 1/20 0.45
▸ FPR1 P21462 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMPD1 P17405 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2330593 0.87 ESR1 (0.58) ESR1ESR2PSDLMNAALDH1A1
SCHEMBL2337131 0.82 ESR1 (0.57) ESR1ESR2PSDLMNAALDH1A1
SCHEMBL17491753 0.80 ESR1 (0.55) ESR1ESR2PSDLMNAALDH1A1
SCHEMBL2329046 0.80 ESR1 (0.58) ESR1ESR2PSDLMNAALDH1A1
SCHEMBL13835591 0.76 ESR1 (0.60) ESR1ESR2PSDLMNAALDH1A1
SCHEMBL2329177 0.75 ESR1 (0.65) ESR1ESR2PSDLMNAALDH1A1
SCHEMBL14157040 0.73 LMNA (0.50) ESR1ESR2PSDLMNAALDH1A1
SCHEMBL2337411 0.73 ESR1 (0.58) ESR1ESR2PSDLMNAALDH1A1
SCHEMBL17491756 0.73 ESR1 (0.58) ESR1ESR2PSDLMNAALDH1A1
SCHEMBL2182106 0.72 ESR1 (0.90) ESR1ESR2PSDLMNAALDH1A1

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 1525/4885ESR2 1075/4885PSD 1099/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR ESR1 1525/4885ESR2 1075/4885PSD 1099/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR ESR1 1525/4885ESR2 1075/4885PSD 1099/4885

“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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