SCHEMBL14274732

SCHEMBL14274732

COC(C(=O)O)C1NC(=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)OC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)CNC1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.55
DRD1 P21728 1/20 0.55
PTGS1 P23219 1/20 0.55
PDE4A P27815 1/20 0.55
F2 P00734 1/20 0.40
KEAP1 Q14145 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
KCNMA1 Q12791 1/20 0.39
KCNMB4 Q86W47 1/20 0.39
RXFP4 Q8TDU9 6/20 0.38
RXFP3 Q9NSD7 5/20 0.38
TSLP Q969D9 1/20 0.38
MDM2 Q00987 4/20 0.38
MDM4 O15151 2/20 0.38
F11 P03951 1/20 0.38
EPHA2 P29317 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL14274882 0.98 CTSL (0.53) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274739 0.97 CTSL (0.59) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274865 0.97 CTSL (0.55) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274735 0.97 CTSL (0.55) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274824 0.97 CTSL (0.53) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274881 0.96 CTSL (0.56) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274916 0.96 CTSL (0.57) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274878 0.95 CTSL (0.53) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274872 0.95 CTSL (0.56) CTSLDRD1PTGS1PDE4AF2
SCHEMBL14274813 0.95 CTSL (0.52) CTSLDRD1PTGS1PDE4AF2

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.