SCHEMBL10046332

SCHEMBL10046332

CCOCCNC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)CCl

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IL23R Q5VWK5 20/20 0.52

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
SCHEMBL13659872 1.00 IL23R (0.52) IL23R
SCHEMBL13870329 0.96 IL23R (0.54) IL23R
SCHEMBL12353632 0.95 IL23R (0.54) IL23R
SCHEMBL22382220 0.94 IL23R (0.51) IL23R
SCHEMBL13703199 0.94 IL23R (0.51) IL23R
SCHEMBL23057496 0.92 IL23R (0.56) IL23R
SCHEMBL13870355 0.92 IL23R (0.56) IL23R
SCHEMBL20810079 0.92 IL23R (0.56) IL23R
SCHEMBL13870345 0.92 IL23R (0.56) IL23R
SCHEMBL13649568 0.92 IL23R (0.52) IL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299030-B2 Peptide-based compounds GE HEALTHCARE LIMITED (GB) 2012-10-30 US disclosed
US-20120020882-A1 PEPTIDE-BASED COMPOUNDS GE HEALTHCARE AS (NO) 2012-01-26 US disclosed
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 (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 IL23R 1073/4885
US-20120020882-A1 PEPTIDE-BASED COMPOUNDS ITGB3, ITGAV, SELPLG IL23R 973/4885

“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.