SCHEMBL8427698

SCHEMBL8427698

C=CCOC(=O)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](N)CC2=CNC3C=CC=CC23)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2N)NC(=O)[C@H](C(C)CC(=O)O)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.53
▸ DRD1 P21728 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ PDE4A P27815 1/20 0.53
▸ ALB P02768 1/20 0.34
▸ NPR1 P16066 1/20 0.34
▸ NPR3 P17342 1/20 0.34
▸ PLAU P00749 2/20 0.32
▸ CTSG P08311 1/20 0.30
▸ F11 P03951 1/20 0.30
▸ KLK7 P49862 1/20 0.30

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
SCHEMBL8236190 0.90 CTSL (0.66) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8244573 0.87 CTSL (0.64) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8227371 0.87 CTSL (0.64) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8227193 0.85 CTSL (0.58) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8424783 0.85 CTSL (0.58) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8242592 0.85 CTSL (0.58) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8242455 0.84 CTSL (0.60) CTSLDRD1PTGS1PDE4AALB
SCHEMBL14215178 0.84 CTSL (0.57) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8227168 0.84 CTSL (0.74) CTSLDRD1PTGS1PDE4ANPR1
SCHEMBL8244946 0.83 CTSL (0.59) CTSLDRD1PTGS1PDE4AALB

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-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 (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-20060194714-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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