SCHEMBL13662772

SCHEMBL13662772

CCOCCNC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1NC(=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)CS1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.41
▸ ITGB1 P05556 2/20 0.41
▸ ITGAV P06756 2/20 0.41
▸ ITGA5 P08648 2/20 0.41
▸ ITGB5 P18084 1/20 0.41
▸ IL23R Q5VWK5 5/20 0.40
▸ MC4R P32245 11/20 0.39
▸ MC5R P33032 11/20 0.39
▸ MC3R P41968 11/20 0.39
▸ MC1R Q01726 11/20 0.39
▸ BCL2L1 Q07817 1/20 0.38
▸ BAD Q92934 1/20 0.38
▸ BECN1 Q14457 1/20 0.37

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 0.93 IL23R (0.45) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL13659868 0.85 IL23R (0.48) ITGB3ITGAVIL23RMC4RMC5R
SCHEMBL14962599 0.83 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL13649562 0.82 MC4R (0.49) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL26200764 0.81 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL10046561 0.81 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL26200836 0.81 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL10046406 0.81 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL22004632 0.78 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL13870331 0.78 MC4R (0.48) ITGB3ITGB1ITGAVITGA5ITGB5

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-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

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 ITGB3 1/4885ITGB1 4/4885ITGAV 2/4885

“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.

Send feedback