SCHEMBL13246859

SCHEMBL13246859

CCCCCOc1ccc(-c2ccc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]3C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c4ccccc4N)C(=O)O[C@@H]3C)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.83
▸ DRD1 P21728 1/20 0.83
▸ PTGS1 P23219 1/20 0.83
▸ PDE4A P27815 1/20 0.83
▸ IL23R Q5VWK5 8/20 0.38
▸ TAOK1 Q7L7X3 1/20 0.37
▸ TAOK3 Q9H2K8 1/20 0.37
▸ ITGB3 P05106 2/20 0.36
▸ ITGB1 P05556 2/20 0.36
▸ ITGAV P06756 2/20 0.36
▸ ITGA5 P08648 2/20 0.36
▸ ITGB6 P18564 2/20 0.36
▸ ITGB8 P26012 2/20 0.36
▸ KRAS P01116 1/20 0.36
▸ EPHA2 P29317 3/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NECTIN4 Q96NY8 2/20 0.35
▸ KCNMA1 Q12791 1/20 0.35
▸ KCNMB4 Q86W47 1/20 0.35

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
SCHEMBL15507446 0.96 CTSL (0.76) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL13246866 0.94 CTSL (0.82) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL15507456 0.94 CTSL (0.82) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL13267792 0.94 CTSL (0.73) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL13246855 0.93 CTSL (0.86) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL13246854 0.93 CTSL (0.86) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL25541852 0.93 CTSL (0.82) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL19457469 0.93 CTSL (0.82) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL13246868 0.91 CTSL (0.83) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL15177343 0.91 CTSL (0.83) CTSLDRD1PTGS1PDE4AIL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 — — US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 — — US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 — — US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 — — 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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CTSL 56/4885DRD1 2791/4885PTGS1 1386/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CTSL 56/4885DRD1 2791/4885PTGS1 1386/4885

“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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