SCHEMBL8242524

SCHEMBL8242524

CC(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC1C(=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)NC(C(C)CC(=O)O)C(=O)NC(CC(=O)c2ccccc2N)C(=O)OC1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.77
▸ DRD1 P21728 1/20 0.77
▸ PTGS1 P23219 1/20 0.77
▸ PDE4A P27815 1/20 0.77
▸ NPR1 P16066 1/20 0.36
▸ NPR3 P17342 1/20 0.36
▸ PLAU P00749 2/20 0.35
▸ BECN1 Q14457 2/20 0.35
▸ ITGB3 P05106 5/20 0.34
▸ ITGAV P06756 4/20 0.34
▸ ITGB1 P05556 3/20 0.34
▸ ITGA5 P08648 3/20 0.34
▸ ST14 Q9Y5Y6 1/20 0.34
▸ ITGB6 P18564 2/20 0.34
▸ ITGB8 P26012 2/20 0.34
▸ TNFSF11 O14788 1/20 0.34
▸ ALB P02768 1/20 0.34
▸ NECTIN4 Q96NY8 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ BCL2A1 Q16548 1/20 0.34

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
SCHEMBL8357546 0.94 CTSL (0.75) CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL17253268 0.94 CTSL (0.75) CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8354294 0.94 CTSL (0.75) CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8422213 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ANECTIN4
SCHEMBL21250583 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ANECTIN4
SCHEMBL8420524 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ANECTIN4
SCHEMBL10157516 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ANECTIN4
SCHEMBL8227154 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ANECTIN4
SCHEMBL8415773 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ANECTIN4
SCHEMBL8221832 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4ANECTIN4

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-20080119395-A1 Novel Depsipeptides and Process for Preparing Same CUBIST PHARMACEUTICALS, INC. 2008-05-22 — — US disclosed
US-20060194714-A1 Novel depsipeptides and process for preparing same CUBIST PHARMACEUTICALS, INC. 2006-08-31 — — 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 (2 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-20060194714-A1 Novel depsipeptides and process for preparing same VIP, DNPEP, PREP CTSL 124/4885DRD1 2758/4885PTGS1 4259/4885
US-20080119395-A1 Novel Depsipeptides and Process for Preparing Same VIP, DNPEP, PREP CTSL 124/4885DRD1 2758/4885PTGS1 4259/4885

“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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