SCHEMBL11988714

SCHEMBL11988714

COCCOCCNC(=O)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC)NC(=O)[C@H](CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CONC(=O)OC(C)(C)C)NC(=O)CS1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.48
▸ ITGAV P06756 5/20 0.48
▸ ITGB1 P05556 1/20 0.47
▸ ITGA5 P08648 1/20 0.47
▸ ITGB5 P18084 2/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ MC4R P32245 14/20 0.43
▸ MC5R P33032 14/20 0.43
▸ MC3R P41968 14/20 0.43
▸ MC1R Q01726 14/20 0.43

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
SCHEMBL11988713 0.92 ITGB3 (0.50) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL13532029 0.92 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL11988715 0.89 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL15335356 0.86 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL13014695 0.85 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL10046406 0.84 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL10046561 0.84 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL26200836 0.84 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL13062600 0.84 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL9909402 0.83 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGB5

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-8247534-B2 Synthesis of radiofluorinated peptide using microwave activation technology GE HEALTHCARE AS (NO) 2012-08-21 — — US disclosed
US-20100016551-A1 SYNTHESIS OF RADIOFLUORINATED PEPTIDE USING MICROWAVE ACTIVATION TECHNOLOGY GE HEALTHCARE AS (NO) 2010-01-21 — — 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-20100016551-A1 SYNTHESIS OF RADIOFLUORINATED PEPTIDE USING MICROWAVE ACTIVATION TECHNOLOGY VIP, QRFPR, GRPR ITGB3 4319/4885ITGAV 3386/4885ITGB1 4579/4885

“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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