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Sugi Predict / Compounds / SCHEMBL8236195

SCHEMBL8236195

SCHEMBL8236195

C=CCOC(=O)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(=O)CCCCCCCCC)[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 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.79
▸ DRD1 P21728 1/20 0.79
▸ PTGS1 P23219 1/20 0.79
▸ PDE4A P27815 1/20 0.79
▸ ALB P02768 1/20 0.37
▸ ITGB3 P05106 2/20 0.36
▸ ITGAV P06756 2/20 0.36
▸ KCNMA1 Q12791 1/20 0.35
▸ KCNMB4 Q86W47 1/20 0.35
▸ NPR1 P16066 1/20 0.35
▸ NPR3 P17342 1/20 0.35
▸ LDLR P01130 1/20 0.34
▸ PCSK9 Q8NBP7 1/20 0.34
▸ EPHA2 P29317 1/20 0.34
▸ PRLHR P49683 2/20 0.34
▸ F2 P00734 1/20 0.34
▸ TSLP Q969D9 6/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ PLAU P00749 1/20 0.33

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
SCHEMBL8221933 0.96 CTSL (0.86) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8242494 0.93 CTSL (0.92) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8227349 0.91 CTSL (0.78) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8227383 0.91 CTSL (0.77) CTSLDRD1PTGS1PDE4AALB
SCHEMBL14446427 0.91 CTSL (0.76) CTSLDRD1PTGS1PDE4AKCNMA1
SCHEMBL14446086 0.90 CTSL (0.76) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8230311 0.90 CTSL (0.96) CTSLDRD1PTGS1PDE4AALB
SCHEMBL14446449 0.89 CTSL (0.74) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL20952839 0.89 CTSL (0.84) CTSLDRD1PTGS1PDE4AALB
SCHEMBL15581530 0.89 CTSL (0.84) 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 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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