SCHEMBL6943032

SCHEMBL6943032

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.56
ITGA2B P08514 2/20 0.56
KMT2A Q03164 3/20 0.51
HTT P42858 1/20 0.48
GAA P10253 1/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NTSR1 P30989 1/20 0.46
YAP1 P46937 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
ALDH1A1 P00352 2/20 0.45
STS P08842 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 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
SCHEMBL7501267 0.92 ITGB3 (0.63) ITGB3ITGA2BKMT2AHTTMAPT
SCHEMBL6540108 0.90 ITGB3 (0.61) ITGB3ITGA2BKMT2AHTTGAA
SCHEMBL6936345 0.85 ITGB3 (0.72) ITGB3ITGA2BKMT2AHTTMAPT
SCHEMBL7496784 0.85 ITGB3 (0.61) ITGB3ITGA2BKMT2AHTTMAPK1
SCHEMBL6943036 0.85 ITGB3 (0.49) ITGB3ITGA2BKMT2AHTTMAPT
SCHEMBL6935794 0.83 ITGB3 (0.70) ITGB3ITGA2BKMT2AHTTYAP1
SCHEMBL6539424 0.83 ITGB3 (0.70) ITGB3ITGA2BKMT2AHTTYAP1
SCHEMBL7304645 0.83 ITGB3 (0.60) ITGB3ITGA2BKMT2AHTTGAA
SCHEMBL6936056 0.82 ITGB3 (0.69) ITGB3ITGA2BHTTYAP1GPR119
SCHEMBL7508377 0.82 ITGB3 (0.65) ITGB3ITGA2BKMT2AHTTNPC1

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 3019/4885KMT2A 3762/4885

“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.