SCHEMBL6936065

SCHEMBL6936065

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.51
ITGA2B P08514 6/20 0.51
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
STS P08842 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
F2R P25116 2/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
YAP1 P46937 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6936349 0.96 ITGB3 (0.53) ITGB3ITGA2BALDH1A1NPC1SMN1; SMN2
SCHEMBL7502464 0.94 ITGB3 (0.49) ITGB3ITGA2BALDH1A1NPC1SMN1; SMN2
SCHEMBL6935801 0.94 ITGB3 (0.52) ITGB3ITGA2BALDH1A1NPC1SMN1; SMN2
SCHEMBL6539432 0.94 ITGB3 (0.52) ITGB3ITGA2BALDH1A1NPC1SMN1; SMN2
SCHEMBL7494017 0.93 ITGB3 (0.51) ITGB3ITGA2BALDH1A1NPC1SMN1; SMN2
SCHEMBL7501275 0.90 ITGB3 (0.49) ITGB3ITGA2BALDH1A1NPC1SMN1; SMN2
SCHEMBL7498844 0.89 KDM4E (0.50) ITGB3ITGA2BALDH1A1NPC1SMN1; SMN2
SCHEMBL7498526 0.89 ITGB3 (0.49) ITGB3ITGA2BALDH1A1NPC1SMN1; SMN2
SCHEMBL7496206 0.88 ITGB3 (0.51) ITGB3ITGA2BALDH1A1NPC1SMN1; SMN2
SCHEMBL7507544 0.85 ITGB3 (0.47) ITGB3ITGA2BALDH1A1NPC1SMN1; SMN2

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 3019/4885ALDH1A1 572/4885

“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.