SCHEMBL16326787

SCHEMBL16326787

CNCCOCCOCCOCCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCNC(=O)CCCC(=O)NCCC(CCNC(C)(C)/C(C)=N\O)CCNC(C)(C)/C(C)=N\O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.45
▸ ITGAV P06756 5/20 0.45
▸ ITGB1 P05556 2/20 0.45
▸ ITGA5 P08648 2/20 0.45
▸ SLC40A1 Q9NP59 1/20 0.44
▸ CTSG P08311 2/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ MC4R P32245 5/20 0.43
▸ MC5R P33032 5/20 0.43
▸ MC3R P41968 5/20 0.43
▸ MC1R Q01726 5/20 0.43
▸ PLAU P00749 2/20 0.42
▸ ALB P02768 1/20 0.41
▸ TSLP Q969D9 3/20 0.41
▸ ITGB5 P18084 2/20 0.40

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
SCHEMBL20809940 0.95 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5SLC40A1
SCHEMBL14962606 0.95 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5SLC40A1
SCHEMBL12361596 0.95 ITGB3 (0.46) ITGB3ITGAVITGB1ITGA5SLC40A1
SCHEMBL16063104 0.95 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5SLC40A1
SCHEMBL12462751 0.95 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5SLC40A1
SCHEMBL13887996 0.95 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5SLC40A1
SCHEMBL13061299 0.95 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5SLC40A1
SCHEMBL12353684 0.95 ITGB3 (0.50) ITGB3ITGAVITGB1ITGA5CTSG
SCHEMBL10053082 0.94 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5SLC40A1
SCHEMBL23057562 0.92 TSLP (0.47) ITGB3ITGAVITGB1ITGA5CTSG

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-7994134-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2011-08-09 — — US disclosed
US-20090203584-A1 Peptide-based Compounds GE HEALTHCARE LIMITED (GB) 2009-08-13 — — 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-20090203584-A1 Peptide-based Compounds ITGB3, ITGAV, SELPLG ITGB3 1/4885ITGAV 2/4885ITGB1 4/4885

“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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