SCHEMBL6810682

SCHEMBL6810682

NC1=NCCC(CC[C@@H]2NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)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 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 15/20 0.46
▸ ITGAV P06756 15/20 0.46
▸ ITGA5 P08648 5/20 0.46
▸ ITGB1 P05556 3/20 0.46
▸ ITGA2B P08514 1/20 0.45
▸ ITGB5 P18084 6/20 0.44
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ TPSAB1 Q15661 3/20 0.39
▸ CTSG P08311 1/20 0.39

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
SCHEMBL6807565 0.91 ITGB3 (0.51) ITGB3ITGAVITGA5ITGB1ITGA2B
SCHEMBL6810762 0.88 ITGB3 (0.47) ITGB3ITGAVITGA5ITGB1ITGA2B
SCHEMBL6811418 0.88 ITGB3 (0.51) ITGB3ITGAVITGA5ITGB1ITGA2B
SCHEMBL7744368 0.87 ITGB3 (0.51) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL8365736 0.87 ITGB3 (0.51) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL23999261 0.80 KEAP1 (0.52) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL22738697 0.80 KEAP1 (0.51) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL6811498 0.79 ITGB3 (0.40) ITGB3ITGAVITGA5ITGB1ITGA2B
SCHEMBL6807615 0.79 ITGB3 (0.58) ITGB3ITGAVITGA5ITGB1ITGA2B
SCHEMBL16994856 0.77 ITGB3 (0.52) ITGB3ITGAVITGA5ITGB1ITGA2B

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 1016/4885ITGA5 1201/4885

“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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