SCHEMBL4623924

SCHEMBL4623924

CC(C)Nc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 6/20 0.59
▸ PTGS1 P23219 3/20 0.58
▸ ALPI P09923 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ XIAP P98170 1/20 0.58
▸ CYP3A4 P08684 4/20 0.51
▸ ALOX15 P16050 4/20 0.51
▸ HIF1A Q16665 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ ACHE P22303 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ DRD3 P35462 1/20 0.51

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
SCHEMBL4624973 1.00 SLC7A5 (0.59) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL28377241 0.90 SLC7A5 (0.59) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL4943107 0.85 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL3059437 0.85 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL30037334 0.85 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1355021 0.84 SLC7A5 (0.53) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2778112 0.84 SLC7A5 (0.56) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL12879867 0.83 FFAR1 (0.49) PTGS1CYP3A4ALOX15ALDH1A1TDP1
SCHEMBL1807721 0.83 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1807723 0.83 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1078002-B1 PEPTIDE ANTIANGIOGENIC DRUGS ABBOTT LAB (US) 2008-05-21 — — EP disclosed
US-20050124548-A1 Peptide antiangiogenic drugs HENKIN JACK (US) 2005-06-09 — — US disclosed
US-6774211-B1 Peptide antiangiogenic drugs ABBOTT LABORATORIES 2004-08-10 — — US disclosed
US-6716963-B1 OLIGOPEPTIDES ABBOTT LABORATORIES 2004-04-06 — — 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-20050124548-A1 Peptide antiangiogenic drugs VEGFA, NPPA, FLT1 SLC7A5 1541/4885PTGS1 684/4885ALPI 4645/4885

“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.

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