SCHEMBL8230275

SCHEMBL8230275

CCCCC1NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)C(C)OC(=O)C(CC(=O)c2ccccc2N)NC(=O)C(C(C)CC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)NC1=O

nearest known ligand 0.84

Predicted protein targets (top 20)

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
▸ EPHA2 P29317 3/20 0.40
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ ITGB3 P05106 2/20 0.37
▸ ITGB1 P05556 2/20 0.37
▸ ITGAV P06756 2/20 0.37
▸ ITGA5 P08648 2/20 0.37
▸ ITGB6 P18564 2/20 0.37
▸ ITGB8 P26012 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ MC4R P32245 6/20 0.36
▸ MC5R P33032 6/20 0.36
▸ MC3R P41968 6/20 0.36
▸ MC1R Q01726 6/20 0.36
▸ NECTIN4 Q96NY8 1/20 0.36

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
SCHEMBL8226972 1.00 CTSL (0.84) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8226898 1.00 CTSL (0.84) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8230288 1.00 CTSL (0.84) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8229379 0.96 CTSL (0.79) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8230347 0.96 CTSL (0.79) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227051 0.96 CTSL (0.79) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8354268 0.96 CTSL (0.86) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14434157 0.96 CTSL (0.85) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227054 0.94 CTSL (0.85) CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL13246846 0.94 CTSL (0.77) 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-7335726-B2 Lipopeptide stereoisomers, methods for preparing same and useful intermediates CUBIST PHARMACEUTICALS, INC. (US) 2008-02-26 — — US disclosed
US-7262268-B2 Lipopeptide stereoisomers, methods for preparing same, and useful intermediates CUBIST PHARMACEUTICALS, INC. (US) 2007-08-28 — — US disclosed
US-20060223983-A1 Lipopeptide stereoisomers, methods for preparing same and useful intermediates CUBIST PHARMACEUTICALS, INC. 2006-10-05 — — 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-20060223983-A1 Lipopeptide stereoisomers, methods for preparing same and useful intermediates NGLY1, LSS, NRDC CTSL 187/4885DRD1 3225/4885PTGS1 1577/4885

“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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