SCHEMBL2331968

SCHEMBL2331968

COc1ccc2c(=O)cc(C)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
PRNP P04156 1/20 0.51
PPARG P37231 1/20 0.51
HTT P42858 1/20 0.51
MAPK10 P53779 1/20 0.51
NCOA2 Q15596 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL7769678 0.81 MAPK1 (0.50) ALDH1A1TSHRMAPK1PRNPPPARG
SCHEMBL7769690 0.79 TSHR (0.48) ALDH1A1TSHRMAPK1PRNPPPARG
SCHEMBL30017661 0.78 KDM4E (0.67) ALDH1A1TSHRMAPK1PRNPPPARG
SCHEMBL13338880 0.78 KDM4E (0.67) ALDH1A1TSHRMAPK1PRNPPPARG
SCHEMBL11478908 0.75 ALDH1A1 (0.59) ALDH1A1TSHRMAPTHPGDRAB9A
SCHEMBL144455 0.74 CA2 (0.56) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL26768604 0.74 HTT (0.49) ALDH1A1TSHRMAPK1PRNPPPARG
SCHEMBL29853664 0.74 HTT (0.49) ALDH1A1TSHRMAPK1PRNPPPARG
SCHEMBL10031374 0.74 HTT (0.51) ALDH1A1TSHRMAPK1PRNPPPARG
SCHEMBL14409807 0.73 CES2 (0.51) ALDH1A1TSHRMAPK1PRNPPPARG

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 ALDH1A1 344/4885TSHR 1230/4885MAPK1 4468/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR ALDH1A1 344/4885TSHR 1230/4885MAPK1 4468/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR ALDH1A1 344/4885TSHR 1230/4885MAPK1 4468/4885

“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.