SCHEMBL13649552

SCHEMBL13649552

N=C(N)NCCC[C@H](NC(=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](CC(=O)O)C(=O)N1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 5/20 0.51
▸ OXTR P30559 4/20 0.45
▸ AVPR1A P37288 4/20 0.45
▸ AVPR1B P47901 4/20 0.45
▸ ESR1 P03372 2/20 0.43
▸ CTSG P08311 2/20 0.43
▸ KLK7 P49862 1/20 0.43
▸ PRMT5 O14744 2/20 0.42
▸ WDR77 Q9BQA1 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ TNFSF11 O14788 1/20 0.41

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
SCHEMBL13113566 0.85 SSTR2 (0.50) AVPR1ACTSGKLK7ALBPLAU
SCHEMBL13287941 0.84 SSTR2 (0.50) AVPR1ACTSGKLK7ALBPLAU
SCHEMBL13703200 0.80 MC4R (0.52) CTSGPLAU
SCHEMBL12082795 0.80 IL23R (0.52) AVPR1ACTSGPLAUTNFSF11
SCHEMBL13113585 0.79 PLAU (0.51) OXTRAVPR1AAVPR1BCTSGKLK7
SCHEMBL13287918 0.78 ALB (0.47) CTSGKLK7ALBPLAUTNFSF11
SCHEMBL13656564 0.78 MC4R (0.49) MDM2CTSGPRMT5WDR77TNFSF11
SCHEMBL13649555 0.78 MC4R (0.56) CTSGPLAU
SCHEMBL13649564 0.78 MC4R (0.55) CTSGPLAU
SCHEMBL13287950 0.78 ALB (0.46) CTSGKLK7ALBPLAUTNFSF11

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 MDM2 2912/4885OXTR 1139/4885AVPR1A 388/4885
US-20090232741-A1 Optical Imaging AGER, KDR, FLT4 MDM2 4012/4885OXTR 47/4885AVPR1A 24/4885

“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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