SCHEMBL13870355

SCHEMBL13870355

CC(C)(C)SC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CCl)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CSC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 20/20 0.56

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
SCHEMBL13870345 1.00 IL23R (0.56) IL23R
SCHEMBL23057496 1.00 IL23R (0.56) IL23R
SCHEMBL20810079 1.00 IL23R (0.56) IL23R
SCHEMBL10052936 0.97 IL23R (0.53) IL23R
SCHEMBL12353632 0.96 IL23R (0.54) IL23R
SCHEMBL22004635 0.95 IL23R (0.52) IL23R
SCHEMBL16349755 0.94 IL23R (0.52) IL23R
SCHEMBL16349776 0.94 IL23R (0.52) IL23R
SCHEMBL13870329 0.94 IL23R (0.54) IL23R
SCHEMBL13659872 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 3 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-7521419-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2009-04-21 — — 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-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.

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