SCHEMBL2329286

SCHEMBL2329286

CCOC(=O)Cc1ccc(C(=O)OC)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 5/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
XDH P47989 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B2 P37059 1/20 0.43
MGLL Q99685 1/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.42
EGFR P00533 1/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3530705 0.88 ALDH1A1 (0.47) NPC1KDM4ECA12CA1CA2
SCHEMBL13719241 0.84 EPHX2 (0.46) TDP1TSHREGFRHSD17B10HTT
SCHEMBL13986239 0.84 ALDH1A1 (0.44) ALDH1A1TSHREGFRPKM
SCHEMBL14175211 0.84 TDP1 (0.52) KDM4ECA12CA1CA2CA7
SCHEMBL1495934 0.83 NR1H4 (0.51) KDM4ECA12CA1CA2CA7
SCHEMBL19647679 0.83 CA1 (0.47) KDM4ECA12CA1CA2CA7
SCHEMBL1495870 0.82 MTNR1A (0.44) NPC1KDM4ECA12CA1CA2
SCHEMBL25721981 0.80 TDP1 (0.52) KDM4ECA12CA1CA2CA7
SCHEMBL13553385 0.80 PPARG (0.51) NPC1KDM4ECA12CA1CA2
SCHEMBL25883697 0.80 PKM (0.43) NPC1TDP1MAPTLMNAEGFR

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 NPC1 2185/4885KDM4E 2028/4885CA12 4848/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR NPC1 2185/4885KDM4E 2028/4885CA12 4848/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR NPC1 2185/4885KDM4E 2028/4885CA12 4848/4885

“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.