SCHEMBL13703448

SCHEMBL13703448

CCOCCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCNC(=O)c2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)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 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 10/20 0.53
▸ MC1R Q01726 10/20 0.53
▸ MC5R P33032 9/20 0.53
▸ MC3R P41968 9/20 0.53
▸ CTSG P08311 2/20 0.45
▸ ITGB3 P05106 2/20 0.43
▸ ITGAV P06756 2/20 0.43
▸ PLAU P00749 2/20 0.42
▸ GRB2 P62993 2/20 0.40
▸ NNMT P40261 1/20 0.40
▸ MDM2 Q00987 1/20 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
SCHEMBL13649555 0.95 MC4R (0.56) MC4RMC1RMC5RMC3RCTSG
SCHEMBL13649564 0.94 MC4R (0.55) MC4RMC1RMC5RMC3RCTSG
SCHEMBL11929552 0.89 ITGB3 (0.57) MC4RMC1RMC5RMC3RCTSG
SCHEMBL13703200 0.89 MC4R (0.52) MC4RMC1RMC5RMC3RCTSG
SCHEMBL11929915 0.85 MC4R (0.58) MC4RMC1RMC5RMC3RCTSG
SCHEMBL13703202 0.85 MC4R (0.52) MC4RMC1RMC5RMC3RCTSG
SCHEMBL13656508 0.83 MC4R (0.51) MC4RMC1RMC5RMC3RCTSG
SCHEMBL13703447 0.82 MDM2 (0.44) MC4RMC1RMC5RMC3RCTSG
SCHEMBL11929553 0.81 MC4R (0.46) MC4RMC1RMC5RMC3RITGB3
SCHEMBL16349774 0.79 MC4R (0.51) MC4RMC1RMC5RMC3RCTSG

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-7608243-B2 RGD peptide sequence; labelled with fluorescein used as contrast agents in optical imaging in diagnosis of angiogenesis-related diseases; peptidic vector and the fluorescein dye are coupled; cyclic peptide forming disulife or monothioether bridge GE HEALTHCARE AS (NO) 2009-10-27 — — US disclosed
US-20090232741-A1 Optical Imaging GE HEALTHCARE AS (NO) 2009-09-17 — — US disclosed
US-20070183977-A1 Fluorescein-labelled peptides AMERSHAM HEALTH AS (NO) 2007-08-09 — — 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 (2 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-20070183977-A1 Fluorescein-labelled peptides FLT4, FLT1, KDR MC4R 379/4885MC1R 124/4885MC5R 676/4885
US-20090232741-A1 Optical Imaging AGER, KDR, FLT4 MC4R 244/4885MC1R 25/4885MC5R 221/4885

“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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