SCHEMBL9980756

SCHEMBL9980756

CC(=O)OC[C@H](N)C(=O)O.CC(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.51
PTPN1 P18031 1/20 0.51
PTGS1 P23219 3/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
XIAP P98170 1/20 0.50
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
TPH1 P17752 3/20 0.44
GRB2 P62993 1/20 0.44
ALOX15 P16050 3/20 0.44
HIF1A Q16665 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 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
SCHEMBL22645606 0.91 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ITGB3ITGA2B
SCHEMBL671002 0.91 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ITGB3ITGA2B
SCHEMBL450849 0.91 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ITGB3ITGA2B
SCHEMBL4581449 0.84 SLC7A5 (0.56) SLC7A5PTPN1PTGS1ITGB3ITGA2B
SCHEMBL684389 0.83 ITGB3 (0.46) ITGB3ITGA2BKMT2APOLBPPARG
SCHEMBL12053134 0.83 ITGB3 (0.46) ITGB3ITGA2BKMT2APOLBPPARG
SCHEMBL451772 0.83 SLC7A5 (0.62) SLC7A5PTPN1PTGS1ITGB3ITGA2B
SCHEMBL2336902 0.82 OPRK1 (0.44) SLC7A5PTPN1ITGB3ITGA2BKMT2A
SCHEMBL4629444 0.81 SLC7A5 (0.56) SLC7A5PTPN1PTGS1ITGB3ITGA2B
SCHEMBL9937712 0.81 SLC7A5 (0.56) SLC7A5PTPN1PTGS1ITGB3ITGA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312890-A1 ACETYLATED AMINO ACIDS AS ANTI-PLATELET AGENTS, NUTRITIONAL AND VITAMIN SUPPLEMENTS SIGNATURE R&D HOLDINGS, LLC (US) 2011-12-22 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-20110312890-A1 ACETYLATED AMINO ACIDS AS ANTI-PLATELET AGENTS, NUTRITIONAL AND VITAMIN SUPPLEMENTS PLTP, GP6, PDGFA SLC7A5 500/4885PTPN1 4264/4885PTGS1 190/4885

“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.