SCHEMBL2633099

SCHEMBL2633099

COc1cccc(/C=C2\SC(=S)NC2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 7/20 0.84
PIM1 P11309 1/20 0.76
AKR1B1 P15121 1/20 0.76
PIM2 Q9P1W9 1/20 0.76
MMP13 P45452 2/20 0.74
MMP3 P08254 1/20 0.74
MEN1 O00255 1/20 0.71
POLB P06746 1/20 0.71
BLM P54132 1/20 0.71
KMT2A Q03164 1/20 0.71
NOD2 Q9HC29 1/20 0.71
CSNK2A2 P19784 1/20 0.71
CLK1 P49759 1/20 0.71
CSNK2B P67870 1/20 0.71
CSNK2A1 P68400 1/20 0.71
DYRK1A Q13627 1/20 0.71
DYRK1B Q9Y463 1/20 0.71
GSK3B P49841 2/20 0.70
NAT1 P18440 2/20 0.69
PIK3CG P48736 1/20 0.68

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
SCHEMBL1726213 1.00 ADAMTS5 (0.84) ADAMTS5PIM1AKR1B1PIM2MMP13
SCHEMBL17140247 1.00 ADAMTS5 (0.84) ADAMTS5PIM1AKR1B1PIM2MMP13
SCHEMBL12961151 0.92 MEN1 (0.85) ADAMTS5PIM1AKR1B1PIM2MMP13
SCHEMBL18103023 0.91 ADAMTS5 (1.00) ADAMTS5PIM1AKR1B1PIM2MMP13
SCHEMBL8312114 0.86 ADAMTS5 (0.75) ADAMTS5PIM1AKR1B1PIM2MMP13
SCHEMBL18103036 0.86 MEN1 (0.71) ADAMTS5PIM1AKR1B1PIM2MMP13
SCHEMBL1250160 0.86 PIM1 (1.00) ADAMTS5PIM1AKR1B1PIM2MEN1
SCHEMBL1250158 0.86 PIM1 (1.00) ADAMTS5PIM1AKR1B1PIM2MEN1
SCHEMBL7556271 0.86 PIK3CG (0.84) ADAMTS5PIM1PIM2MMP13MMP3
SCHEMBL7556274 0.86 PIK3CG (0.84) ADAMTS5PIM1PIM2MMP13MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20170137862-A1 CHEMILUMINESCENT COMPOSITIONS, METHODS, ASSAYS AND KITS FOR OXIDATIVE ENZYMES Life Technologies Corporation 2017-05-18 US disclosed
US-9518285-B2 Chemiluminescent compositions, methods, assays and kits for oxidative enzymes Life Technologies Corporation (US) 2016-12-13 US disclosed
US-20150284766-A1 CHEMILUMINESCENT COMPOSITIONS, METHODS, ASSAYS AND KITS FOR OXIDATIVE ENZYMES Life Technologies Corporation 2015-10-08 US disclosed
US-9067910-B2 Chemiluminescent compositions, methods, assays and kits for oxidative enzymes Life Technologies Corporation (US) 2015-06-30 US disclosed
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20120100566-A1 CHEMILUMINESCENT COMPOSITIONS, METHODS, ASSAYS AND KITS FOR OXIDATIVE ENZYMES Life Technologies Corporation (US) 2012-04-26 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 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
WO-2010101839-A2 CHEMILUMINESCENT COMPOSITIONS, METHODS, ASSAYS AND KITS FOR OXIDATIVE ENZYMES Life Technologies Corporation (US) 2010-09-10 WO disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 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 (6 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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 ADAMTS5 2358/4885PIM1 2196/4885AKR1B1 3876/4885
US-20150284766-A1 CHEMILUMINESCENT COMPOSITIONS, METHODS, ASSAYS AND KITS FOR OXIDATIVE ENZYMES AOX1, CAT, LPO ADAMTS5 1561/4885PIM1 2511/4885AKR1B1 77/4885
US-20120100566-A1 CHEMILUMINESCENT COMPOSITIONS, METHODS, ASSAYS AND KITS FOR OXIDATIVE ENZYMES CBR1, AOX1, POR ADAMTS5 1953/4885PIM1 2764/4885AKR1B1 41/4885
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 ADAMTS5 457/4885PIM1 2506/4885AKR1B1 248/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 ADAMTS5 2358/4885PIM1 2196/4885AKR1B1 3876/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 ADAMTS5 1450/4885PIM1 3492/4885AKR1B1 156/4885

“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.