SCHEMBL13531889

SCHEMBL13531889

COCCOCCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CON)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 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.60
ITGAV P06756 5/20 0.60
MC4R P32245 9/20 0.53
MC5R P33032 9/20 0.53
MC3R P41968 9/20 0.53
MC1R Q01726 9/20 0.53
CTSG P08311 2/20 0.51
PLAU P00749 2/20 0.49
ITGB1 P05556 2/20 0.48
ITGA5 P08648 2/20 0.48
ITGB5 P18084 2/20 0.46
TSLP Q969D9 1/20 0.46
CACNA1B Q00975 1/20 0.45

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
SCHEMBL11928877 0.96 ITGB3 (0.64) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14198546 0.93 ITGB3 (0.57) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13531891 0.93 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14195230 0.93 CTSG (0.56) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13014695 0.92 ITGB3 (0.60) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL15188716 0.92 ITGB3 (0.59) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13014849 0.91 ITGB3 (0.63) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13014846 0.91 ITGB3 (0.58) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL9908265 0.91 ITGB3 (0.63) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13870347 0.91 ITGB3 (0.63) ITGB3ITGAVMC4RMC5RMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016551-A1 SYNTHESIS OF RADIOFLUORINATED PEPTIDE USING MICROWAVE ACTIVATION TECHNOLOGY GE HEALTHCARE AS (NO) 2010-01-21 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-20100016551-A1 SYNTHESIS OF RADIOFLUORINATED PEPTIDE USING MICROWAVE ACTIVATION TECHNOLOGY VIP, QRFPR, GRPR ITGB3 4319/4885ITGAV 3386/4885MC4R 190/4885

“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.