SCHEMBL991076

SCHEMBL991076

CN(CCc1ccc(N=C=O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
ESRRG P62508 1/20 0.38
CTSK P43235 2/20 0.35
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
PPARA Q07869 3/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
MCHR1 Q99705 1/20 0.34
PDK2 Q15119 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CYP1A2 P05177 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
GBA1 P04062 1/20 0.33
MLYCD O95822 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GLS O94925 1/20 0.32

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
SCHEMBL991770 0.82 PDK2 (0.48) PPARAPDK2PPARD
SCHEMBL12177889 0.81 PDK2 (0.43) PPARAPDK2HRH3PPARD
SCHEMBL30264506 0.80 LTB4R (0.46) ESRRGCTSKPPARALTB4RLTB4R2
SCHEMBL3015417 0.80 ESRRG (0.56) ESRRGLTB4RLTB4R2PDK2
SCHEMBL2240309 0.80 PPARA (0.44) ESRRGCTSKHTR2CSLC6A4PPARA
SCHEMBL991972 0.80 CYP3A4 (0.49) CYP3A4TSHRESRRGLTB4RLTB4R2
SCHEMBL2237122 0.80 ESRRG (0.40) ESRRGCTSKLTB4RLTB4R2PDK2
SCHEMBL30954590 0.79 AOC3 (0.47) CYP3A4TSHRESRRGPPARAMCHR1
SCHEMBL22777273 0.79 ESRRG (0.42) ESRRGCTSKHTR2CSLC6A4PPARA
SCHEMBL21996922 0.79 ESRRG (0.42) ESRRGCTSKLTB4RLTB4R2PDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011140009-A1 METHODS OF USING SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2011-11-10 WO disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 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-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 CYP3A4 324/4885TSHR 3307/4885ESRRG 3697/4885

“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.