SCHEMBL16744153

SCHEMBL16744153

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 3/20 0.53
▸ MDM4 O15151 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ TLR2 O60603 2/20 0.50
▸ TNF P01375 3/20 0.48
▸ MDM2 Q00987 3/20 0.47

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
SCHEMBL16744160 0.94 TLR2 (0.53) CASP3MDM4TP53TLR2TNF
SCHEMBL16744142 0.94 TLR2 (0.53) CASP3MDM4TP53TLR2TNF
SCHEMBL16744154 0.93 TLR2 (0.54) CASP3MDM4TP53TLR2TNF
SCHEMBL8654704 0.92 MDM4 (0.59) CASP3MDM4TP53MDM2
SCHEMBL8653790 0.92 MDM4 (0.59) CASP3MDM4TP53MDM2
SCHEMBL9186701 0.92 MDM4 (0.59) CASP3MDM4TP53MDM2
SCHEMBL8653785 0.92 MDM4 (0.59) CASP3MDM4TP53MDM2
SCHEMBL16744156 0.92 TLR2 (0.56) CASP3MDM4TP53TLR2TNF
SCHEMBL16744155 0.92 TLR2 (0.56) CASP3MDM4TP53TLR2TNF
SCHEMBL16744157 0.92 TLR2 (0.56) CASP3MDM4TP53TLR2TNF

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 CASP3 2406/4885MDM4 1684/4885TP53 722/4885

“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.

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