SCHEMBL8310945

SCHEMBL8310945

O=C1NC(=S)S/C1=C\c1cccc(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 4/20 1.00
AKR1B1 P15121 1/20 0.74
CISD1 Q9NZ45 4/20 0.70
CA2 P00918 1/20 0.68
EPHX1 P07099 1/20 0.68
MYC P01106 1/20 0.68
MAX P61244 1/20 0.68
MMP13 P45452 2/20 0.67
MMP3 P08254 1/20 0.67
TDP1 Q9NUW8 1/20 0.66
ADAMTS5 Q9UNA0 1/20 0.64
CRHBP P24387 1/20 0.64
CRHR2 Q13324 1/20 0.64
GSK3B P49841 1/20 0.63
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62

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
SCHEMBL12892064 1.00 NAT1 (1.00) NAT1AKR1B1CISD1CA2EPHX1
SCHEMBL8310946 1.00 NAT1 (1.00) NAT1AKR1B1CISD1CA2EPHX1
SCHEMBL18103005 0.92 NAT1 (0.85) NAT1AKR1B1CISD1CA2EPHX1
SCHEMBL18103051 0.91 NAT1 (0.83) NAT1AKR1B1MMP13MMP3ADAMTS5
SCHEMBL18103002 0.85 NAT1 (0.74) NAT1AKR1B1CISD1CA2EPHX1
SCHEMBL18103006 0.85 NAT1 (0.74) NAT1AKR1B1CISD1CA2EPHX1
SCHEMBL12259747 0.85 AKR1B1 (1.00) NAT1AKR1B1CISD1TDP1GSK3B
SCHEMBL18103062 0.85 MMP13 (0.82) NAT1AKR1B1MMP13MMP3ADAMTS5
SCHEMBL18103055 0.85 MMP3 (0.75) NAT1AKR1B1MMP13MMP3ADAMTS5
SCHEMBL15421927 0.84 PIK3CG (0.76) NAT1CISD1CA2EPHX1MYC

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 US disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 EP disclosed
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 US disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 US disclosed
US-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 US disclosed
US-7872027-B2 Low molecular weight Myc-max inhibitors UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-01-18 US disclosed
EP-0915090-A1 Compounds useful as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1999-05-12 EP disclosed
US-5716975-A NONTOXIC RHODANINE DERIVATIVES; ANTIDIABETIC AGENTS, CATHEPSIN D INHIBITORS, B-AMYLOID PROTEIN REDUCTION ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
US-5661168-A ADMINISTERING RHODANINE DERIVATIVES TO CONTROL DIABETES ELI LILLY AND COMPANY (US) 1997-08-26 US disclosed
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed
EP-0587377-A2 Thiazolidinone derivatives as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1994-03-16 EP 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 (7 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-20150141424-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 NAT1 1733/4885AKR1B1 1446/4885CISD1 616/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 NAT1 1550/4885AKR1B1 1347/4885CISD1 734/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 NAT1 1733/4885AKR1B1 1446/4885CISD1 616/4885
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 NAT1 867/4885AKR1B1 3876/4885CISD1 511/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 NAT1 1550/4885AKR1B1 1347/4885CISD1 734/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 NAT1 1569/4885AKR1B1 1420/4885CISD1 748/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 NAT1 867/4885AKR1B1 3876/4885CISD1 511/4885

“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.