SCHEMBL6811418

SCHEMBL6811418

NC1=NCCC(CC[C@@H]2NC(=O)[C@H](CCCCNC(=O)CC[C@H](N)C(=O)NCCCC[C@H]3NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC4CCN=C(N)N4)NC3=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC2=O)N1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.51
▸ ITGAV P06756 16/20 0.51
▸ ITGB1 P05556 2/20 0.51
▸ ITGA5 P08648 2/20 0.51
▸ ITGA2B P08514 5/20 0.50
▸ ITGB5 P18084 8/20 0.48

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
SCHEMBL6810682 0.88 ITGB3 (0.46) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6810762 0.88 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6807565 0.85 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL19981446 0.85 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL22970321 0.85 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7743670 0.85 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7744260 0.85 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6807615 0.84 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL6811498 0.79 ITGB3 (0.40) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7744274 0.78 KEAP1 (0.52) ITGB3ITGAVITGB1ITGA5ITGA2B

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-6818659-B2 TARGETS AND BINDS BIOLOGICAL RECEPTORS; MEDICAL DIAGNOSIS; MAGNETIC RESONANCE, X-RAY, ULTRASOUND, AND CONTRAST IMAGING BRISTOL-MYERS SQUIBB PHARMA, INC. 2004-11-16 — — US disclosed
US-20040087603-A1 (2S) -2-AMINO-4-(2-AMINO-(3,4,5,6-TETRAHYDROPYRIMIDIN-4-YL) BUTANOYL AND ITS USE IN CYCLIC AND ACYCLIC PEPTIDES LANTHEUS MEDICAL IMAGING, INC. 2004-05-06 — — 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-20040087603-A1 (2S) -2-AMINO-4-(2-AMINO-(3,4,5,6-TETRAHYDROPYRIMIDIN-4-YL) BUTANOYL AND ITS USE IN CYCLIC AND ACYCLIC PEPTIDES VIP, ARGLU1, NGLY1 ITGB3 1291/4885ITGAV 1016/4885ITGB1 2073/4885

“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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