SCHEMBL6943036

SCHEMBL6943036

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
HTT P42858 1/20 0.45
STS P08842 1/20 0.44
USP30 Q70CQ3 1/20 0.44
KMT2A Q03164 1/20 0.44
YAP1 P46937 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
CTSL P07711 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NTSR1 P30989 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7501271 0.91 ITGB3 (0.52) ITGB3ITGA2BHTTYAP1
SCHEMBL6540111 0.89 ITGB3 (0.52) ITGB3ITGA2BHTTSTSUSP30
SCHEMBL7496789 0.85 ITGB3 (0.53) ITGB3ITGA2BHTTKMT2AL3MBTL1
SCHEMBL6943032 0.85 ITGB3 (0.56) ITGB3ITGA2BHTTSTSUSP30
SCHEMBL6936346 0.85 ITGB3 (0.57) ITGB3ITGA2BYAP1
SCHEMBL7304645 0.82 ITGB3 (0.60) ITGB3ITGA2BHTTSTSUSP30
SCHEMBL6936057 0.81 ITGB3 (0.55) ITGB3ITGA2BYAP1L3MBTL1
SCHEMBL6942125 0.81 ITGB3 (0.55) ITGB3ITGA2BYAP1L3MBTL1
Hydrochloric Acid SCHEMBL7499833 0.81 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL6539630 0.81 ITGB3 (0.57) ITGB3ITGA2BHTTYAP1

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 3019/4885HTT 4616/4885

“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.