SCHEMBL13659868

SCHEMBL13659868

CC(C)(C)SC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CSC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1)C(=O)NCC(=O)NCCOCCOCCN

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 13/20 0.48
▸ CTSG P08311 2/20 0.43
▸ F11 P03951 1/20 0.42
▸ ALB P02768 1/20 0.42
▸ PLAU P00749 1/20 0.41
▸ MC4R P32245 1/20 0.40
▸ MC5R P33032 1/20 0.40
▸ MC3R P41968 1/20 0.40
▸ MC1R Q01726 1/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGAV P06756 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
SCHEMBL13659873 0.92 IL23R (0.45) IL23RCTSGF11ALBPLAU
SCHEMBL13649571 0.89 CTSG (0.50) CTSGPLAUMC4RMC5RMC3R
SCHEMBL14096844 0.85 ITGB3 (0.48) CTSGALBPLAUMC4RMC5R
SCHEMBL13662772 0.85 ITGB3 (0.41) IL23RMC4RMC5RMC3RMC1R
SCHEMBL23057633 0.82 ITGB3 (0.53) CTSGPLAUMC4RMC5RMC3R
SCHEMBL13870353 0.82 ITGB3 (0.53) CTSGPLAUMC4RMC5RMC3R
SCHEMBL13870342 0.82 ITGB3 (0.53) CTSGPLAUMC4RMC5RMC3R
SCHEMBL12353633 0.82 MC4R (0.49) CTSGPLAUMC4RMC5RMC3R
SCHEMBL13287934 0.82 IL23R (0.52) IL23R
SCHEMBL13870331 0.82 MC4R (0.48) CTSGPLAUMC4RMC5RMC3R

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-8361443-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2013-01-29 — — US disclosed
US-8361443-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2013-01-29 — — US disclosed
US-20090263320-A1 Peptide-Based Compounds GE HEALTHCARE AS (NO) 2009-10-22 — — US disclosed
US-20090263320-A1 Peptide-Based Compounds GE HEALTHCARE AS (NO) 2009-10-22 — — 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-20090263320-A1 Peptide-Based Compounds ITGB3, ITGAV, SELPLG IL23R 973/4885CTSG 920/4885F11 279/4885

“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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