SCHEMBL5844076

SCHEMBL5844076

O=C(O)CC(NC(=O)CNC(=O)OCCCNc1ccccn1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.75
ITGB3 P05106 19/20 0.75
ITGB6 P18564 6/20 0.75
ITGA2B P08514 4/20 0.75
ITGB5 P18084 4/20 0.75
ITGB1 P05556 4/20 0.48
ITGA5 P08648 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL5844806 0.96 ITGAV (0.70) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL5844569 0.94 ITGAV (0.72) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL5844064 0.94 ITGAV (0.72) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL5844740 0.94 ITGAV (0.72) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL5845275 0.94 ITGAV (0.66) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL5846707 0.91 ITGAV (0.66) ITGAVITGB3ITGB6ITGA2BITGB5
Trifluoroacetic Acid SCHEMBL5845168 0.90 ITGAV (0.61) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL5846536 0.89 ITGAV (0.65) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL5846384 0.89 ITGAV (0.65) ITGAVITGB3ITGB6ITGA2BITGB5
SCHEMBL5846605 0.89 ITGAV (0.65) ITGAVITGB3ITGB6ITGA2BITGB5

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-7135587-B2 Urea and urethane derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2006-11-14 US claimed
EP-1343764-B1 UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2004-08-25 EP claimed
US-20040063644-A1 Urea and urethane derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2004-04-01 US claimed
EP-1343764-A1 UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GmbH (DE) 2003-09-17 EP claimed
WO-2002050039-A1 UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2002-06-27 WO claimed
US-7135587-B2 Urea and urethane derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2006-11-14 US disclosed
EP-1343764-B1 UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2004-08-25 EP disclosed
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20040063644-A1 Urea and urethane derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
US-6683186-B2 CONDENSATION, ETHERIFICATION; PHOSPHODIESTERASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-01-27 US disclosed
US-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-23 US disclosed
EP-1343764-A1 UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GmbH (DE) 2003-09-17 EP disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
WO-2002050039-A1 UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2002-06-27 WO disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 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 (5 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-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 ITGAV 1867/4885ITGB3 3188/4885ITGB6 3264/4885
US-20040063644-A1 Urea and urethane derivatives as integrin inhibitors ITGB1, ITGB2, ITGA1 ITGAV 16/4885ITGB3 7/4885ITGB6 14/4885
US-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ITGAV 3761/4885ITGB3 3824/4885ITGB6 3685/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B ITGAV 3777/4885ITGB3 3757/4885ITGB6 3663/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ITGAV 3586/4885ITGB3 3648/4885ITGB6 3534/4885

“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.