SCHEMBL13323977

SCHEMBL13323977

C[S+](C)CC(=O)CCC(NC(=O)C(CCC(=O)N1CCCCC1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.53
ITGA2B P08514 7/20 0.53
ACE P12821 2/20 0.49
ITGAV P06756 5/20 0.47
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL14077189 0.89 ITGB3 (0.53) ITGB3ITGA2BACEITGAVCTSL
SCHEMBL13324009 0.88 ITGB3 (0.55) ITGB3ITGA2BACEITGAVCTSL
SCHEMBL5579946 0.87 ITGB3 (0.65) ITGB3ITGA2BACEITGAV
SCHEMBL5130791 0.87 ITGB3 (0.65) ITGB3ITGA2BACEITGAV
SCHEMBL13324031 0.86 ITGB3 (0.51) ITGB3ITGA2BACEITGAVCTSL
SCHEMBL13323970 0.86 MME (0.55) ACECTSLCTSK
SCHEMBL22689909 0.86 ITGB3 (0.66) ITGB3ITGA2BACEITGAV
SCHEMBL13323943 0.84 MME (0.56) ACECTSLCTSK
SCHEMBL13323971 0.84 MME (0.48) ACECTSLCTSBCTSK
SCHEMBL13323941 0.84 ACE (0.56) ACECTSLCTSBCTSK

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-7723307-B2 Amino acid derivatives and pharmaceutical uses thereof ASTON UNIVERSITY (GB) 2010-05-25 US disclosed
US-20080200511-A1 Novel Compounds and Methods of Using the Same ASTON UNIVERSITY (GB) 2008-08-21 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-20080200511-A1 Novel Compounds and Methods of Using the Same F3, IL4I1, TPMT ITGB3 1205/4885ITGA2B 1598/4885ACE 3265/4885

“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.