SCHEMBL16745562

SCHEMBL16745562

O=C(N[C@@H](CCCCCCCOI)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.56
▸ MDM2 Q00987 6/20 0.56
▸ MDM4 O15151 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ TNF P01375 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49

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
SCHEMBL8892538 0.92 MDM2 (0.60) TLR2MDM2MDM4TP53KMT2A
SCHEMBL8893047 0.92 MDM2 (0.60) TLR2MDM2MDM4TP53KMT2A
SCHEMBL25361808 0.89 TLR2 (0.59) TLR2MDM2MDM4TP53TNF
SCHEMBL25361805 0.89 TLR2 (0.59) TLR2MDM2MDM4TP53TNF
SCHEMBL8426773 0.89 MDM2 (0.58) TLR2MDM2MDM4TP53KMT2A
SCHEMBL6158132 0.88 MDM2 (0.56) TLR2MDM2MDM4TP53HDAC1
SCHEMBL13038839 0.88 MDM2 (0.58) TLR2MDM2MDM4TP53TNF
SCHEMBL15083321 0.87 TLR2 (0.66) TLR2MDM2MDM4TP53TNF
SCHEMBL17749229 0.87 TLR2 (0.66) TLR2MDM2MDM4TP53TNF
SCHEMBL16744148 0.87 TLR2 (0.66) TLR2MDM2MDM4TP53TNF

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-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 216/4885MDM4 1684/4885

“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.

Send feedback