SCHEMBL13887996

SCHEMBL13887996

C/C(=N/O)C(C)(C)NCCC(CCNC(=O)CCCC(=O)NCCCC[C@@H]1NC(=O)CSC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC1=O)CCNC(C)(C)/C(C)=N\O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.49
▸ ITGAV P06756 5/20 0.49
▸ SLC40A1 Q9NP59 1/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGA5 P08648 1/20 0.46
▸ MC4R P32245 3/20 0.45
▸ MC5R P33032 3/20 0.45
▸ MC3R P41968 3/20 0.45
▸ MC1R Q01726 3/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ CTSG P08311 2/20 0.44
▸ PLAU P00749 2/20 0.43
▸ ALB P02768 1/20 0.42
▸ ITGB5 P18084 2/20 0.42
▸ TSLP Q969D9 5/20 0.42

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
SCHEMBL16063104 1.00 ITGB3 (0.49) ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL14962606 1.00 ITGB3 (0.49) ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL20809940 1.00 ITGB3 (0.49) ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL13061299 1.00 ITGB3 (0.49) ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL12462751 1.00 ITGB3 (0.49) ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL10053082 0.98 ITGB3 (0.48) ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL12361596 0.96 ITGB3 (0.46) ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL22292608 0.96 ITGB3 (0.47) ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL16349785 0.96 ITGB3 (0.50) ITGB3ITGAVSLC40A1ITGB1ITGA5
SCHEMBL16326787 0.95 ITGB3 (0.45) ITGB3ITGAVSLC40A1ITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299030-B2 Peptide-based compounds GE HEALTHCARE LIMITED (GB) 2012-10-30 — — US disclosed
US-20120020882-A1 PEPTIDE-BASED COMPOUNDS GE HEALTHCARE AS (NO) 2012-01-26 — — US disclosed
US-7521419-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2009-04-21 — — 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-20120020882-A1 PEPTIDE-BASED COMPOUNDS ITGB3, ITGAV, SELPLG ITGB3 1/4885ITGAV 2/4885SLC40A1 1310/4885

“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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