SCHEMBL14096840

SCHEMBL14096840

N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)NCCOCCOCCN)CCCC(=O)N[C@@H](CC(=O)O)C(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 12/20 0.51
▸ MC5R P33032 12/20 0.51
▸ MC3R P41968 12/20 0.51
▸ MC1R Q01726 12/20 0.51
▸ CTSG P08311 2/20 0.50
▸ ITGB3 P05106 4/20 0.48
▸ ITGAV P06756 4/20 0.48
▸ ITGB1 P05556 2/20 0.48
▸ ITGA5 P08648 2/20 0.48
▸ PLAU P00749 1/20 0.47
▸ ITGB5 P18084 1/20 0.47
▸ CACNA1B Q00975 1/20 0.46

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
SCHEMBL14137303 0.93 ITGB3 (0.51) MC4RMC5RMC3RMC1RCTSG
SCHEMBL11926071 0.92 CTSG (0.55) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13659869 0.91 CTSG (0.54) MC4RMC5RMC3RMC1RCTSG
SCHEMBL11929264 0.89 ITGB3 (0.52) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14195230 0.87 CTSG (0.56) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14096854 0.87 ITGB3 (0.54) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13656565 0.85 CTSG (0.51) MC4RMC5RMC3RMC1RCTSG
SCHEMBL12837665 0.85 CTSG (0.51) MC4RMC5RMC3RMC1RCTSG
SCHEMBL11933451 0.85 ITGB3 (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14096799 0.84 CTSG (0.57) MC4RMC5RMC3RMC1RCTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080187493-A1 a targeting vector which binds to receptors associated with integrin receptors, angiogenesis; contrast agents; diagnosis of malignant diseases, heart diseases, inflammation-related diseases, rheumatoid arthritis and Kaposi's sarcoma GE HEALTHCARE AS (NO) 2008-08-07 — — 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-20080187493-A1 a targeting vector which binds to receptors associated with integrin receptors, angiogenesis; contrast agents; diagnosis of malignant diseases, heart diseases, inflammation-related diseases, rheumatoid arthritis and Kaposi's sarcoma KDR, VCAM1, FLT1 MC4R 2604/4885MC5R 2892/4885MC3R 2303/4885

“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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