SCHEMBL5029982

SCHEMBL5029982

CC(C)(C)OC(=O)CC1CCC(=O)N(CC(=O)NCCCCc2ccc3c(n2)N(C(=O)O)CCC3)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.38
ITGAV P06756 9/20 0.38
ACE P12821 1/20 0.33
NPC1L1 Q9UHC9 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CCKBR P32239 1/20 0.31

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
SCHEMBL5029883 0.76 ITGAV (0.53) ITGB3ITGAV
SCHEMBL5025707 0.73 ITGB3 (0.42) ITGB3ITGAVACECCKBR
SCHEMBL5026289 0.73 ITGB3 (0.42) ITGB3ITGAVACECCKBR
SCHEMBL5023976 0.73 ITGB3 (0.42) ITGB3ITGAVACECCKBR
SCHEMBL21328903 0.69 GPR119 (0.39) ITGAV
SCHEMBL21328782 0.69 ALDH1A1 (0.36) ITGB3ITGAVPOLB
SCHEMBL28502344 0.69 ALDH1A1 (0.36) ITGB3ITGAVPOLB
SCHEMBL28499900 0.68 ITGAV (0.38) ITGB3ITGAV
SCHEMBL21328838 0.68 GPR119 (0.37) ITGAV
SCHEMBL28501228 0.68 GRIN2B (0.38) ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 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 (1 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B ITGB3 1/4885ITGAV 2/4885ACE 3776/4885

“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.