SCHEMBL2332640

SCHEMBL2332640

COC(=O)Cc1cc(C(=O)OC)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
DAO P14920 1/20 0.43
HSP90AB1 P08238 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
BLM P54132 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
KDM4E B2RXH2 4/20 0.39
GAA P10253 3/20 0.39
XDH P47989 2/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2331028 0.86 DAO (0.47) PARP1DAOMEN1KMT2AL3MBTL1
SCHEMBL13185510 0.86 GSK3B (0.44) DAOHSP90AB1MEN1KMT2ACA2
SCHEMBL13814173 0.82 DAO (0.65) PARP1DAOMEN1KMT2AL3MBTL1
SCHEMBL2176203 0.82 PARP1 (0.47) PARP1DAOMEN1KMT2AL3MBTL1
SCHEMBL10209859 0.82 DAO (0.40) PARP1DAOHSP90AB1MEN1KMT2A
SCHEMBL24459408 0.81 PARP1 (0.46) PARP1DAOMEN1KMT2AL3MBTL1
SCHEMBL2173402 0.81 PARP1 (0.46) PARP1DAOMEN1KMT2AL3MBTL1
SCHEMBL12407032 0.81 LOXL2 (0.49) PARP1DAOMEN1KMT2AL3MBTL1
SCHEMBL24036135 0.81 PARP1 (0.49) PARP1DAOMEN1KMT2AL3MBTL1
SCHEMBL4083604 0.81 PARP1 (0.46) PARP1DAOMEN1KMT2AL3MBTL1

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 PARP1 3228/4885DAO 448/4885HSP90AB1 1328/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR PARP1 3228/4885DAO 448/4885HSP90AB1 1328/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR PARP1 3228/4885DAO 448/4885HSP90AB1 1328/4885

“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.