SCHEMBL6936057

SCHEMBL6936057

CCOC(=O)C[C@H](NC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.55
ITGA2B P08514 12/20 0.55
F2R P25116 3/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
YAP1 P46937 3/20 0.44

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
SCHEMBL6942125 1.00 ITGB3 (0.55) ITGB3ITGA2BF2RBCHEACHE
SCHEMBL6936346 0.96 ITGB3 (0.57) ITGB3ITGA2BF2RYAP1
SCHEMBL7502459 0.94 ITGB3 (0.52) ITGB3ITGA2BF2RALDH1A1L3MBTL1
SCHEMBL6539427 0.94 ITGB3 (0.57) ITGB3ITGA2BF2RYAP1
SCHEMBL6935798 0.94 ITGB3 (0.57) ITGB3ITGA2BF2RYAP1
SCHEMBL6539630 0.94 ITGB3 (0.57) ITGB3ITGA2BF2RYAP1
SCHEMBL6939589 0.94 ITGB3 (0.57) ITGB3ITGA2BF2RYAP1
SCHEMBL7494010 0.91 ITGB3 (0.54) ITGB3ITGA2BF2RALDH1A1L3MBTL1
SCHEMBL7501271 0.90 ITGB3 (0.52) ITGB3ITGA2BF2RYAP1
SCHEMBL7498839 0.89 KDM4E (0.51) ITGB3ITGA2BF2RALDH1A1

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-20030114488-A1 New processes for producing beta-alanine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-19 US disclosed
US-6538007-B1 Hydrates and method of antogonizing glycoprotein IIb/IIIa activity using these compounds is also disclosed. antagonist, inhibitor of blood platelets aggregation and inhibitor of the binding of fibrinogen to blood platelets. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 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-20030114488-A1 New processes for producing beta-alanine derivatives BCAT1, BCAT2, AGXT ITGB3 3266/4885ITGA2B 3019/4885F2R 2026/4885

“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.