SCHEMBL2330952

SCHEMBL2330952

CC(C)(C)OC(=O)NNC(=O)c1ccc(-c2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.62
ESR2 Q92731 5/20 0.62
LMNA P02545 2/20 0.48
PSD A5PKW4 1/20 0.47
TTR P02766 1/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARG P37231 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39
MAP1LC3A Q9H492 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FPR1 P21462 1/20 0.38
GAA P10253 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
SCHEMBL2335169 0.86 ESR1 (0.69) ESR1ESR2LMNAPSDTTR
SCHEMBL2334006 0.84 ESR1 (0.72) ESR1ESR2LMNAPSDTTR
SCHEMBL2331643 0.83 ESR1 (0.71) ESR1ESR2LMNAPSDTTR
SCHEMBL2337053 0.81 ESR1 (0.65) ESR1ESR2LMNAPSDTTR
SCHEMBL2334656 0.80 ESR1 (0.77) ESR1ESR2LMNAPSDTTR
SCHEMBL2182106 0.80 ESR1 (0.90) ESR1ESR2LMNAPSDTTR
SCHEMBL27886406 0.78 ESR1 (0.64) ESR1ESR2LMNAPSDTTR
SCHEMBL2334837 0.78 ESR1 (0.67) ESR1ESR2LMNAPSDTTR
SCHEMBL13835591 0.78 ESR1 (0.60) ESR1ESR2LMNAPSDTTR
SCHEMBL3957035 0.78 ESR1 (1.00) ESR1ESR2LMNAPSDTTR

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 9 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
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 1075/4885LMNA 4728/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR ESR1 1525/4885ESR2 1075/4885LMNA 4728/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR ESR1 1525/4885ESR2 1075/4885LMNA 4728/4885

“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.