SCHEMBL8221749

SCHEMBL8221749

CCCCC1NC(=O)CNC(=O)C(NC(=O)C(N)CC(=O)O)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 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.66
▸ DRD1 P21728 1/20 0.66
▸ PTGS1 P23219 1/20 0.66
▸ PDE4A P27815 1/20 0.66
▸ ITGB3 P05106 7/20 0.36
▸ ITGAV P06756 7/20 0.36
▸ ITGB1 P05556 4/20 0.36
▸ ITGA5 P08648 4/20 0.36
▸ KEAP1 Q14145 2/20 0.36
▸ PLAU P00749 2/20 0.36
▸ ITGB6 P18564 3/20 0.35
▸ ITGB8 P26012 3/20 0.35
▸ SOAT2 O75908 3/20 0.35
▸ SOAT1 P35610 2/20 0.35
▸ ALB P02768 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ ST14 Q9Y5Y6 1/20 0.34

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
SCHEMBL8226890 0.93 CTSL (0.73) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8221738 0.93 CTSL (0.69) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8227164 0.93 CTSL (0.69) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL14434277 0.91 CTSL (0.70) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL14434101 0.91 CTSL (0.74) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL14434171 0.91 CTSL (0.70) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8354015 0.91 CTSL (0.68) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8230343 0.90 CTSL (0.67) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8242592 0.90 CTSL (0.58) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8227193 0.90 CTSL (0.58) CTSLDRD1PTGS1PDE4AITGB3

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.

Send feedback