SCHEMBL1136482

SCHEMBL1136482

C=CCN([C]=O)C(O)C=C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7565988 0.74
SCHEMBL2393043 0.74 DPP4 (0.30)
SCHEMBL9593909 0.73
SCHEMBL4559383 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL526564 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL529336 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1615907 0.69
SCHEMBL9578971 0.68
SCHEMBL87508 0.68
SCHEMBL14845057 0.67 SMN1; SMN2 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002247-A1 8-SUBSTITUTED IMIDAZOPYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2016-01-07 US disclosed
US-8013004-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-06 US disclosed
EP-1844028-B1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
EP-1896434-B1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-20100113532-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
EP-1708701-A4 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2009-06-17 EP disclosed
EP-1706391-A4 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-&(K)BETA ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2008-12-17 EP disclosed
US-7361654-B2 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-04-22 US disclosed
US-7317024-B2 Heterocyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-01-08 US disclosed
EP-1708699-A4 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- K .B ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2007-11-28 EP disclosed
EP-1708701-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2006-10-11 EP disclosed
EP-1708699-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- K .B ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2006-10-11 EP disclosed
EP-1705990-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2006-10-04 EP disclosed
EP-1706391-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-&(K)BETA ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2006-10-04 EP disclosed
US-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 US disclosed
US-20060154962-A1 Heterocyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 US disclosed
WO-2005073203-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-κB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-11 WO disclosed
WO-2005072729-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-11 WO disclosed
WO-2005072732-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-11 WO disclosed
WO-2005070207-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-04 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 (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-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKB2, NFKB1 ALDH1A1 4114/4885
US-20100113532-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKBIA, NFKB2 ALDH1A1 3167/4885
US-20160002247-A1 8-SUBSTITUTED IMIDAZOPYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY ENPP2, UACA, IAPP ALDH1A1 4353/4885
US-20060154962-A1 Heterocyclic modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKB1, NFKB2 ALDH1A1 3151/4885

“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.