SCHEMBL13267661

SCHEMBL13267661

CCCCCC12CCC(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)(CC1)CC2

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.76
▸ DRD1 P21728 1/20 0.76
▸ PTGS1 P23219 1/20 0.76
▸ PDE4A P27815 1/20 0.76
▸ EPHA2 P29317 3/20 0.35
▸ KCNMA1 Q12791 1/20 0.35
▸ KCNMB4 Q86W47 1/20 0.35
▸ KEAP1 Q14145 2/20 0.35
▸ BCL2A1 Q16548 1/20 0.34
▸ NECTIN4 Q96NY8 2/20 0.34
▸ MDM2 Q00987 3/20 0.34
▸ MDM4 O15151 2/20 0.34
▸ SSTR2 P30874 1/20 0.34
▸ IL23R Q5VWK5 3/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ KRAS P01116 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
SCHEMBL13246858 0.94 CTSL (0.86) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL13267826 0.91 CTSL (0.76) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8420337 0.90 CTSL (0.84) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8418337 0.90 CTSL (0.84) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL13267792 0.90 CTSL (0.73) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL13267853 0.89 CTSL (0.73) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL13267659 0.88 CTSL (0.79) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL15507457 0.87 CTSL (0.77) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL15507446 0.87 CTSL (0.76) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL13267790 0.87 CTSL (0.68) 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 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.

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