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SCHEMBL8227383

SCHEMBL8227383

C=CCOC(=O)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCCC)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2N)NC(=O)[C@H](C(C)CC(=O)O)NC(=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)NC1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.77
▸ DRD1 P21728 1/20 0.77
▸ PTGS1 P23219 1/20 0.77
▸ PDE4A P27815 1/20 0.77
▸ ALB P02768 1/20 0.37
▸ ITGB3 P05106 2/20 0.35
▸ ITGAV P06756 2/20 0.35
▸ KCNMA1 Q12791 1/20 0.35
▸ KCNMB4 Q86W47 1/20 0.35
▸ TSLP Q969D9 5/20 0.35
▸ EPHA2 P29317 2/20 0.35
▸ SHH Q15465 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ PRLHR P49683 1/20 0.34
▸ RXFP4 Q8TDU9 1/20 0.34
▸ RXFP3 Q9NSD7 1/20 0.34
▸ TET2 Q6N021 1/20 0.34
▸ TET1 Q8NFU7 1/20 0.34
▸ GLP1R P43220 1/20 0.33
▸ F11 P03951 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
SCHEMBL8221933 0.95 CTSL (0.86) CTSLDRD1PTGS1PDE4AALB
SCHEMBL14446450 0.95 CTSL (0.69) CTSLDRD1PTGS1PDE4AKCNMA1
SCHEMBL8227109 0.94 CTSL (0.86) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8227222 0.93 CTSL (0.89) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8227043 0.93 CTSL (0.89) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8236195 0.91 CTSL (0.79) CTSLDRD1PTGS1PDE4AALB
SCHEMBL8227349 0.90 CTSL (0.78) CTSLDRD1PTGS1PDE4AALB
SCHEMBL14446427 0.89 CTSL (0.76) CTSLDRD1PTGS1PDE4AKCNMA1
SCHEMBL14446086 0.89 CTSL (0.76) CTSLDRD1PTGS1PDE4ATSLP
SCHEMBL8230311 0.89 CTSL (0.96) CTSLDRD1PTGS1PDE4AALB

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 2 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-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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