Sugi Predict

Sugi Predict / Compounds / SCHEMBL13267792

SCHEMBL13267792

SCHEMBL13267792

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)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)NC(C(=O)c4ccccc4N)C(=O)O[C@@H]3C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.73
▸ DRD1 P21728 1/20 0.73
▸ PTGS1 P23219 1/20 0.73
▸ PDE4A P27815 1/20 0.73
▸ IL23R Q5VWK5 8/20 0.37
▸ EPHA2 P29317 3/20 0.35
▸ KEAP1 Q14145 2/20 0.35
▸ NECTIN4 Q96NY8 2/20 0.35
▸ TAOK1 Q7L7X3 1/20 0.35
▸ TAOK3 Q9H2K8 1/20 0.35
▸ KCNMA1 Q12791 1/20 0.34
▸ KCNMB4 Q86W47 1/20 0.34
▸ ITGB3 P05106 2/20 0.34
▸ ITGB1 P05556 2/20 0.34
▸ ITGAV P06756 2/20 0.34
▸ ITGA5 P08648 2/20 0.34
▸ ITGB6 P18564 2/20 0.34
▸ ITGB8 P26012 2/20 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
SCHEMBL15507446 0.98 CTSL (0.76) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL13267826 0.94 CTSL (0.76) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL13246859 0.94 CTSL (0.83) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL13267853 0.92 CTSL (0.73) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL13267661 0.90 CTSL (0.76) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL15507436 0.90 CTSL (0.76) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL13246866 0.89 CTSL (0.82) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL15507456 0.89 CTSL (0.82) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL8418337 0.89 CTSL (0.84) CTSLDRD1PTGS1PDE4AIL23R
SCHEMBL8420337 0.89 CTSL (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.

Send feedback