SCHEMBL6935794

SCHEMBL6935794

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

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.70
ITGA2B P08514 11/20 0.70
YAP1 P46937 3/20 0.49
F2R P25116 4/20 0.48
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43

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
SCHEMBL6539424 1.00 ITGB3 (0.70) ITGB3ITGA2BYAP1F2RHTT
SCHEMBL6936345 0.97 ITGB3 (0.72) ITGB3ITGA2BYAP1F2RHTT
SCHEMBL6936056 0.95 ITGB3 (0.69) ITGB3ITGA2BYAP1F2RHTT
SCHEMBL7496198 0.94 ITGB3 (0.66) ITGB3ITGA2BYAP1F2RHTT
SCHEMBL6540108 0.92 ITGB3 (0.61) ITGB3ITGA2BYAP1HTTNPC1
SCHEMBL7501267 0.91 ITGB3 (0.63) ITGB3ITGA2BYAP1F2RHTT
SCHEMBL7502454 0.89 ITGB3 (0.65) ITGB3ITGA2BF2RHTTNPC1
SCHEMBL7508377 0.88 ITGB3 (0.65) ITGB3ITGA2BF2RHTTNPC1
SCHEMBL7501816 0.87 ITGB3 (0.63) ITGB3ITGA2BF2RHTTNPC1
SCHEMBL6939589 0.86 ITGB3 (0.57) ITGB3ITGA2BYAP1F2RHTT

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 3019/4885YAP1 3253/4885

“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.