SCHEMBL16298632

SCHEMBL16298632

CCOCCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCNC(=O)CCCC(=O)NCCC(CCNC(C)(C)/C(C)=N\O)CCNC(C)(C)/C(C)=N\O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.49
▸ ITGAV P06756 3/20 0.49
▸ CTSG P08311 2/20 0.47
▸ PLAU P00749 2/20 0.47
▸ MC4R P32245 7/20 0.46
▸ MC5R P33032 7/20 0.46
▸ MC3R P41968 7/20 0.46
▸ MC1R Q01726 7/20 0.46
▸ ALB P02768 1/20 0.45
▸ TSLP Q969D9 5/20 0.45
▸ ITGB1 P05556 1/20 0.43
▸ ITGA5 P08648 1/20 0.43
▸ ITGB5 P18084 1/20 0.43

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
SCHEMBL12353644 0.97 ITGB3 (0.51) ITGB3ITGAVCTSGPLAUMC4R
SCHEMBL12353684 0.96 ITGB3 (0.50) ITGB3ITGAVCTSGPLAUMC4R
SCHEMBL13659880 0.96 ITGB3 (0.50) ITGB3ITGAVCTSGPLAUMC4R
SCHEMBL13748431 0.95 ITGB3 (0.56) ITGB3ITGAVCTSGPLAUMC4R
SCHEMBL13870381 0.95 ITGB3 (0.56) ITGB3ITGAVCTSGPLAUMC4R
SCHEMBL13748443 0.95 ITGB3 (0.56) ITGB3ITGAVCTSGPLAUMC4R
Maraciclatide SCHEMBL29408682 0.94 ITGB3 (0.55) ITGB3ITGAVCTSGPLAUMC4R
SCHEMBL16298634 0.93 CTSG (0.49) ITGB3ITGAVCTSGPLAUMC4R
SCHEMBL12353621 0.93 TSLP (0.50) ITGB3ITGAVCTSGMC4RMC5R
SCHEMBL16349760 0.93 MC4R (0.47) ITGB3ITGAVCTSGPLAUMC4R

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-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

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 ITGB3 1/4885ITGAV 2/4885CTSG 920/4885

“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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