SCHEMBL2328638

SCHEMBL2328638

N#Cc1ccc(-c2c(C(F)(F)F)oc3cc(O)ccc3c2=O)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.60
▸ ESR2 Q92731 4/20 0.60
▸ PSD A5PKW4 1/20 0.57
▸ TTR P02766 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ HSD17B3 P37058 3/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CD38 P28907 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL2327311 0.88 ESR2 (0.69) ESR1ESR2PSDTTRLMNA
SCHEMBL2329991 0.84 ESR1 (0.76) ESR1ESR2PSDTTRLMNA
SCHEMBL2333818 0.81 ESR1 (0.61) ESR1ESR2PSDTTRLMNA
SCHEMBL2329046 0.78 ESR1 (0.58) ESR1ESR2PSDTTRLMNA
SCHEMBL11880763 0.76 ESR2 (0.59) ESR1ESR2PSDTTRLMNA
SCHEMBL3957035 0.75 ESR1 (1.00) ESR1ESR2PSDTTRLMNA
SCHEMBL2330302 0.75 ESR1 (0.58) ESR1ESR2PSDTTRLMNA
SCHEMBL2330298 0.75 ESR1 (0.58) ESR1ESR2PSDTTRLMNA
SCHEMBL2182106 0.75 ESR1 (0.90) ESR1ESR2PSDTTRLMNA
SCHEMBL14157022 0.75 LMNA (0.71) ESR1ESR2PSDTTRLMNA

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
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.

Send feedback