SCHEMBL8415706

SCHEMBL8415706

CCC(=O)NC(C(=O)N[C@H](CC(N)=O)C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.46
ECE1 P42892 6/20 0.46
LTA4H P09960 1/20 0.43
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
CTSK P43235 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL8418352 1.00 ACE (0.46) ACEECE1LTA4HMGAMGAA
SCHEMBL8418341 0.86 MMP9 (0.39) ECE1MGAMGAASIMGAM2
SCHEMBL8420365 0.86 MMP9 (0.39) ECE1MGAMGAASIMGAM2
SCHEMBL8418335 0.83 GPR84 (0.54) MGAMGAASIMGAM2MEN1
SCHEMBL8415721 0.81 MMP2 (0.42) MGAMGAASIMGAM2MEN1
SCHEMBL8984863 0.77 MEN1 (0.49) ACEECE1MGAMGAASI
SCHEMBL13528266 0.76 KMT2A (0.50) MGAMGAASIMGAM2KMT2A
SCHEMBL15290795 0.75 HDAC3 (0.49) ECE1MGAMGAASIMGAM2
SCHEMBL8525238 0.74 MEN1 (0.57) ACEECE1MEN1KMT2AMAPT
SCHEMBL5281197 0.74 MEN1 (0.57) ACEECE1MEN1KMT2AMAPT

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 ACE 2884/4885ECE1 3407/4885LTA4H 64/4885

“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.