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SCHEMBL13267790

SCHEMBL13267790

CCCCc1ccc(/C(C)=C/C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]2C(=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)c3ccccc3N)C(=O)O[C@@H]2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.68
▸ DRD1 P21728 1/20 0.68
▸ PTGS1 P23219 1/20 0.68
▸ PDE4A P27815 1/20 0.68
▸ EPHA2 P29317 3/20 0.36
▸ KCNMA1 Q12791 1/20 0.34
▸ KCNMB4 Q86W47 1/20 0.34
▸ BCL2A1 Q16548 1/20 0.34
▸ SHH Q15465 1/20 0.34
▸ RXFP4 Q8TDU9 5/20 0.34
▸ RXFP3 Q9NSD7 5/20 0.34
▸ IL23R Q5VWK5 2/20 0.34
▸ KRAS P01116 1/20 0.34
▸ TSLP Q969D9 1/20 0.34
▸ KEAP1 Q14145 1/20 0.33
▸ NECTIN4 Q96NY8 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ SSTR2 P30874 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
SCHEMBL13246850 0.91 CTSL (0.81) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL13267826 0.91 CTSL (0.76) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL13246889 0.90 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL13267854 0.90 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL29384312 0.90 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL13246848 0.90 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL29497451 0.90 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL15177344 0.90 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
Surotomycin SCHEMBL17284900 0.90 CTSL (0.82) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL13246857 0.90 CTSL (0.83) 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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