SCHEMBL17486431

SCHEMBL17486431

C=C1NC(CC(=O)c2ccccc2N)C(=O)OC(C)C(NC(=O)C(CC(=O)O)NC(C)=O)C(=O)NCC(=O)NC(CCCN)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC1C(C)CC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.67
▸ DRD1 P21728 1/20 0.67
▸ PTGS1 P23219 1/20 0.67
▸ PDE4A P27815 1/20 0.67
▸ KEAP1 Q14145 2/20 0.34
▸ PLAU P00749 1/20 0.34
▸ ITGB3 P05106 8/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ TNFSF11 O14788 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ ITGAV P06756 7/20 0.33
▸ ITGB1 P05556 3/20 0.33
▸ ITGA5 P08648 3/20 0.33
▸ ITGB6 P18564 2/20 0.33
▸ ITGB8 P26012 2/20 0.33
▸ EPHA2 P29317 2/20 0.33
▸ ITGB5 P18084 2/20 0.33
▸ ST14 Q9Y5Y6 1/20 0.32
▸ ALB P02768 1/20 0.32

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
SCHEMBL8242524 0.93 CTSL (0.77) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8354165 0.91 CTSL (0.73) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL15177352 0.90 CTSL (0.66) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8354294 0.89 CTSL (0.75) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8357546 0.89 CTSL (0.75) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL17253268 0.89 CTSL (0.75) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8354015 0.89 CTSL (0.68) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8227154 0.87 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL10157516 0.87 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL21250583 0.87 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2

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-20160030577-A1 LIPOPEPTIDE COMPOSITIONS AND RELATED METHODS CUBIST PHARMACEUTICALS LLC (US) 2016-02-04 — — 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-20160030577-A1 LIPOPEPTIDE COMPOSITIONS AND RELATED METHODS DDOST, RPN1, RPN2 CTSL 286/4885DRD1 4342/4885PTGS1 4217/4885

“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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