Sugi Predict

Sugi Predict / Compounds / SCHEMBL13246869

SCHEMBL13246869

SCHEMBL13246869

C[C@H](CC(=O)O)[C@@H]1NC(=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)NC(=O)[C@H](CCCN)NC(=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]c3ccccc23)NC(=O)C2CCCCCCCCCCC2)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2N)NC1=O

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.84
▸ DRD1 P21728 1/20 0.84
▸ PTGS1 P23219 1/20 0.84
▸ PDE4A P27815 1/20 0.84
▸ KRAS P01116 1/20 0.40
▸ EPHA2 P29317 3/20 0.39
▸ F11 P03951 1/20 0.38
▸ NECTIN4 Q96NY8 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ IL23R Q5VWK5 6/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ RBM17 Q96I25 1/20 0.37
▸ PRLHR P49683 1/20 0.37
▸ KCNMA1 Q12791 1/20 0.37
▸ KCNMB4 Q86W47 1/20 0.37
▸ SHH Q15465 1/20 0.37

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
SCHEMBL15177335 1.00 CTSL (0.84) CTSLDRD1PTGS1PDE4AKRAS
SCHEMBL15507457 0.95 CTSL (0.77) CTSLDRD1PTGS1PDE4AKRAS
SCHEMBL13246856 0.94 CTSL (0.86) CTSLDRD1PTGS1PDE4AKRAS
SCHEMBL8415773 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227154 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8422213 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8420524 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL10157516 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL21250583 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8221832 0.94 CTSL (0.88) CTSLDRD1PTGS1PDE4AEPHA2

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 3 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-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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