SCHEMBL4648918

SCHEMBL4648918

Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCC(C(N)=O)CC2)cc1)C(=O)O.[KH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ITGB1 P05556 3/20 0.44
ITGA4 P13612 3/20 0.44
UBE2N P61088 1/20 0.44
ITGB7 P26010 1/20 0.44
YAP1 P46937 2/20 0.43
CASP3 P42574 4/20 0.41
PSMB11 A5LHX3 3/20 0.41
PSMA7 O14818 3/20 0.41
PSMB1 P20618 3/20 0.41
PSMA1 P25786 3/20 0.41
PSMA2 P25787 3/20 0.41
PSMA3 P25788 3/20 0.41
PSMA4 P25789 3/20 0.41
PSMB8 P28062 3/20 0.41
PSMB9 P28065 3/20 0.41
PSMA5 P28066 3/20 0.41
PSMB4 P28070 3/20 0.41
PSMB6 P28072 3/20 0.41
PSMB5 P28074 3/20 0.41

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
SCHEMBL29371746 0.99 MAPK1 (0.45) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL20815350 0.99 MAPK1 (0.45) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL23230085 0.99 MAPK1 (0.45) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL598356 0.99 MAPK1 (0.45) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL6840497 0.99 MAPK1 (0.45) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL24868206 0.94 ITGB1 (0.50) MAPK1ITGB1ITGA4ITGB7YAP1
Potassium Ion SCHEMBL4648916 0.93 UBE2N (0.41) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL3744009 0.91 MAPK1 (0.44) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL22023402 0.91 MAPK1 (0.44) MAPK1ITGB1ITGA4UBE2NITGB7
SCHEMBL6480786 0.91 MAPK1 (0.44) MAPK1ITGB1ITGA4UBE2NITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867192-B1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-03-15 US claimed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP claimed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP claimed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO claimed
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 US disclosed
EP-1701933-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-03 EP disclosed
US-7410984-B2 Compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-12 US disclosed
US-20070043113-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-02-22 US disclosed
EP-1701933-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-09-20 EP disclosed
US-20050288337-A1 Novel compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-29 US disclosed
WO-2005061440-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-07-07 WO disclosed
EP-1539696-A2 PROCESS FOR PREPARING QUINOLIN ANTIBIOTIC INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2005-06-15 EP disclosed
EP-1289499-A1 PHARMACEUTICAL ANTI-INFLAMMATORY AEROSOL FORMULATION GLAXO GROUP LIMITED (GB) 2003-03-12 EP disclosed
EP-1289497-A1 NOVEL AQUEOUS ANTI-INFLAMMATORY PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 2003-03-12 EP disclosed
WO-2001095881-A1 PHARMACEUTICAL ANTI-INFLAMMATORY AEROSOL FORMULATION GLAXO GROUP LIMITED (GB) 2001-12-20 WO disclosed
WO-2001095925-A1 PHARMACEUTICAL ANTI-INFLAMMATORY AEROSOL FORMULATION GLAXO GROUP LIMITED (GB) 2001-12-20 WO disclosed
WO-2001095879-A1 NOVEL AQUEOUS ANTI-INFLAMMATORY PHARMACEUTICAL FORMULATION GLAXO GROUP LIMITED (GB) 2001-12-20 WO disclosed
WO-2001095885-A1 DRY-POWDER PHARMACEUTICAL FORMULATION FOR INHALATION COMPRISING ALPHA4-INTERGRIN ANTAGONIST GLAXO GROUP LIMITED (GB) 2001-12-20 WO disclosed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP disclosed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 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-20050288337-A1 Novel compounds ITGB4, ITGA4, ITGB5 MAPK1 2395/4885ITGB1 5/4885ITGA4 2/4885
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 MAPK1 682/4885ITGB1 5/4885ITGA4 2/4885
US-20070043113-A1 Novel compounds VCAM1, ICAM1, EPCAM MAPK1 1560/4885ITGB1 198/4885ITGA4 762/4885

“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.