SCHEMBL13656609

SCHEMBL13656609

CCOCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=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)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)NC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 15/20 0.43
▸ ESR1 P03372 2/20 0.40
▸ ALB P02768 1/20 0.39
▸ MEN1 O00255 2/20 0.39

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
SCHEMBL25888213 0.76 ESR1 (0.49) IL23RESR1ALB
SCHEMBL25888233 0.73 ESR1 (0.51) IL23RESR1ALB
SCHEMBL28564330 0.72 ALB (0.52) ESR1ALB
SCHEMBL31065620 0.72 ALB (0.52) ESR1ALB
SCHEMBL29321824 0.70 ALB (0.52) IL23RALB
SCHEMBL20809946 0.70 IL23R (0.59) IL23R
SCHEMBL14571387 0.70 FOLH1 (0.39) ESR1ALBMEN1
SCHEMBL20809945 0.69 IL23R (0.52) IL23R
SCHEMBL13532019 0.69 IL23R (0.59) IL23R
SCHEMBL15061131 0.68 ESR1 (0.45) ESR1ALB

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-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-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 (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-20070183977-A1 Fluorescein-labelled peptides FLT4, FLT1, KDR IL23R 1073/4885ESR1 1653/4885ALB 3259/4885

“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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