SCHEMBL12767262

SCHEMBL12767262

COc1cc(-c2cccs2)cc(C2NCCS2)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.60
SMPD3 Q9NY59 5/20 0.44
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
FYN P06241 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 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
SCHEMBL18909501 0.82 ERN1 (0.42) ERN1SMPD3MEN1MAPTKMT2A
SCHEMBL12767258 0.78 ERN1 (0.49) ERN1SMPD3MEN1MAPTKMT2A
SCHEMBL12767273 0.75 ERN1 (1.00) ERN1MAPTALDH1A1GAAALOX15
SCHEMBL11399175 0.75 ERN1 (0.63) ERN1MAPTKMT2AALDH1A1GAA
SCHEMBL1527078 0.74 ERN1 (0.45) ERN1SMPD3MEN1MAPTKMT2A
SCHEMBL12767277 0.74 ERN1 (0.45) ERN1SMPD3MEN1MAPTKMT2A
SCHEMBL12470882 0.73 ERN1 (0.68) ERN1MEN1MAPTKMT2AALDH1A1
SCHEMBL2083948 0.70 MAPT (0.56) MAPTALDH1A1SMN1; SMN2
SCHEMBL12766763 0.68 ERN1 (1.00) ERN1
SCHEMBL2082412 0.67 TSHR (0.57) ERN1MEN1MAPTKMT2AALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 US disclosed
EP-3150589-A1 IRE-1A INHIBITORS MannKind Corporation (US) 2017-04-05 EP disclosed
US-9546149-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-01-17 US disclosed
US-9546149-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-01-17 US disclosed
EP-2155643-B1 IRE-1A INHIBITORS MANNKIND CORP (US) 2016-08-10 EP disclosed
US-20160168116-A1 IRE-1alpha Inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2016-06-16 US disclosed
US-20160168116-A1 IRE-1alpha Inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2016-06-16 US disclosed
US-9241942-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2016-01-26 US disclosed
US-9241942-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2016-01-26 US disclosed
US-20140080832-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20140080832-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110065162-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2011-03-17 US disclosed
US-20110065162-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2011-03-17 US disclosed
US-7858666-B2 inositol requiring enzyme 1 (IRE-1 alpha) inhibitors such as 2-hydroxy-6-(5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl)-1-naphthaldehyde, relieve protein folding stress by enhancing molecular chaperone activity and protects cells from stress induced apoptosis; autoimmune diseases; anticancer; viricides MANNKIND CORPORATION (US) 2010-12-28 US disclosed
US-7858666-B2 inositol requiring enzyme 1 (IRE-1 alpha) inhibitors such as 2-hydroxy-6-(5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl)-1-naphthaldehyde, relieve protein folding stress by enhancing molecular chaperone activity and protects cells from stress induced apoptosis; autoimmune diseases; anticancer; viricides MANNKIND CORPORATION (US) 2010-12-28 US disclosed
US-20090186893-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2009-07-23 US disclosed
US-20090186893-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2009-07-23 US 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 (4 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885SMPD3 3189/4885MEN1 3492/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 ERN1 3/4885SMPD3 3189/4885MEN1 3492/4885
US-20140080832-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885SMPD3 3189/4885MEN1 3492/4885
US-20090186893-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885SMPD3 3189/4885MEN1 3492/4885

“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.