SCHEMBL12304785

SCHEMBL12304785

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 6/20 0.49
▸ CASP3 P42574 1/20 0.46
▸ TNF P01375 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL31091386 0.87 TLR2 (0.51) TLR2CASP3TNFKMT2AMDM4
SCHEMBL14047810 0.87 CASP3 (0.51) CASP3KMT2AMDM4TP53
SCHEMBL16327986 0.86 TLR2 (0.59) TLR2TNF
SCHEMBL30229906 0.86 TLR2 (0.51) TLR2CASP3TNFKMT2AMDM4
SCHEMBL27353254 0.86 TLR2 (0.51) TLR2CASP3TNF
SCHEMBL27353661 0.86 TLR2 (0.51) TLR2CASP3TNF
SCHEMBL29907904 0.85 CASP3 (0.55) TLR2CASP3TNFKMT2AMDM4
SCHEMBL13038830 0.85 CASP3 (0.51) CASP3KMT2AMDM4TP53
SCHEMBL27353250 0.84 TLR2 (0.59) TLR2TNF
SCHEMBL30854410 0.83 MDM4 (0.57) CASP3KMT2AMDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110229510-A1 GLYCOPEPTIDE CONSTRUCTS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-09-22 — — US disclosed
US-7824687-B2 Clustered multi-antigenic carbohydrate constructs, methods for their preparation, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-11-02 — — US disclosed
WO-2010006343-A2 GLYCOPEPTIDE CONSTRUCTS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-01-14 — — WO 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-20110229510-A1 GLYCOPEPTIDE CONSTRUCTS AND USES THEREOF B3GAT3, MICA, SIGLEC7 TLR2 1707/4885CASP3 3088/4885TNF 3352/4885

“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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