SCHEMBL4551607

SCHEMBL4551607

CCCCCOc1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.74
ITGA2B P08514 5/20 0.74
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.54
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
ITGB1 P05556 2/20 0.54
ITGA4 P13612 2/20 0.54
PLA2G4B P0C869 2/20 0.54
P2RY10 O00398 1/20 0.53

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
SCHEMBL4551608 1.00 ITGB3 (0.74) ITGB3ITGA2BTP53TSHRLMNA
SCHEMBL7142923 0.99 ITGB3 (0.77) ITGB3ITGA2BTP53TSHRLMNA
SCHEMBL31193421 0.99 ITGB3 (0.77) ITGB3ITGA2BTP53TSHRLMNA
SCHEMBL1960615 0.99 ITGB3 (0.77) ITGB3ITGA2BTP53TSHRLMNA
SCHEMBL1960616 0.99 ITGB3 (0.77) ITGB3ITGA2BTP53TSHRLMNA
SCHEMBL7142926 0.99 ITGB3 (0.77) ITGB3ITGA2BTP53TSHRLMNA
SCHEMBL157969 0.97 ITGB3 (0.74) ITGB3ITGA2BLMNA
SCHEMBL8530276 0.97 ITGB3 (0.74) ITGB3ITGA2BLMNA
SCHEMBL157968 0.97 ITGB3 (0.74) ITGB3ITGA2BLMNA
Hydrochloric Acid SCHEMBL16816253 0.95 ITGB3 (0.72) ITGB3ITGA2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036918-A1 PEPTIDE DERIVATIVE Vexon, Inc. (JP) 2009-03-18 EP claimed
US-20080009448-A1 Peptide Derivative VEXON, INC. (50%) (JP) 2008-01-10 US claimed
EP-2036918-A1 PEPTIDE DERIVATIVE Vexon, Inc. (JP) 2009-03-18 EP disclosed
US-20080009448-A1 Peptide Derivative VEXON, INC. (50%) (JP) 2008-01-10 US 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-20080009448-A1 Peptide Derivative ARGLU1, NGLY1, NPR3 ITGB3 2199/4885ITGA2B 3637/4885TP53 3839/4885

“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.