SCHEMBL16744149

SCHEMBL16744149

CCCCCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.66
MDM2 Q00987 6/20 0.58
TNF P01375 2/20 0.56
MDM4 O15151 1/20 0.54
TP53 P04637 1/20 0.54
CASP3 P42574 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52

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
SCHEMBL29445595 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL29445602 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL31398320 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL17749229 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL15083321 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL20357051 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL16744148 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL16744151 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL18614182 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53
SCHEMBL29615002 1.00 TLR2 (0.66) TLR2MDM2TNFMDM4TP53

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-20150148524-A1 AMINO ACID ANALOGUES AND METHODS FOR THEIR SYNTHESIS UNIV MONASH (AU) 2015-05-28 US disclosed
US-20150148524-A1 AMINO ACID ANALOGUES AND METHODS FOR THEIR SYNTHESIS UNIV MONASH (AU) 2015-05-28 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-20150148524-A1 AMINO ACID ANALOGUES AND METHODS FOR THEIR SYNTHESIS DAO, BCAT2, BCAT1 TLR2 3179/4885MDM2 216/4885TNF 4203/4885

“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.