SCHEMBL14274875

SCHEMBL14274875

CCC(C)C1NC(=O)C(C(C)CC(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(C(OC)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)CN(C)C(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCC(C)C)C(O)C(N)=O)C(C)OC1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.57
DRD1 P21728 1/20 0.57
PTGS1 P23219 1/20 0.57
PDE4A P27815 1/20 0.57
KEAP1 Q14145 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
NR3C1 P04150 1/20 0.38
EPHA2 P29317 1/20 0.38
GLP1R P43220 5/20 0.37
KCNMA1 Q12791 1/20 0.37
KCNMB4 Q86W47 1/20 0.37
F2 P00734 1/20 0.37
RXFP4 Q8TDU9 3/20 0.37
RXFP3 Q9NSD7 3/20 0.37
BCL2A1 Q16548 1/20 0.37
NECTIN4 Q96NY8 2/20 0.37
CCKBR P32239 1/20 0.37

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
SCHEMBL14274694 0.99 CTSL (0.60) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274864 0.97 CTSL (0.57) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274867 0.97 CTSL (0.61) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274916 0.97 CTSL (0.57) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274878 0.97 CTSL (0.53) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274886 0.97 CTSL (0.60) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274724 0.96 CTSL (0.63) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274739 0.96 CTSL (0.59) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274865 0.96 CTSL (0.55) CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274834 0.96 CTSL (0.55) CTSLDRD1PTGS1PDE4AKEAP1

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-20080051326-A1 Antiinfective Lipopeptides CUBIST PHARMACEUTICALS, INC. 2008-02-28 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-20080051326-A1 Antiinfective Lipopeptides VIP, NGLY1, PREP CTSL 49/4885DRD1 3359/4885PTGS1 765/4885

“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.