SCHEMBL17020412

SCHEMBL17020412

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 6/20 0.47
▸ CASP3 P42574 2/20 0.43
▸ TNF P01375 2/20 0.42
▸ KMT2A Q03164 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
SCHEMBL31091386 0.92 TLR2 (0.51) TLR2CASP3TNFKMT2A
SCHEMBL11949183 0.87 CASP3 (0.47) CASP3KMT2A
SCHEMBL30954537 0.87 TLR2 (0.49) TLR2CASP3KMT2A
SCHEMBL15186058 0.86 CASP3 (0.48) TLR2CASP3KMT2A
SCHEMBL30660213 0.85 CASP3 (0.54) TLR2CASP3KMT2A
SCHEMBL9737331 0.85 CASP3 (0.54) TLR2CASP3KMT2A
SCHEMBL16167663 0.85 CTSK (0.47) CASP3TNFKMT2A
SCHEMBL30229906 0.82 TLR2 (0.51) TLR2CASP3TNFKMT2A
SCHEMBL16327986 0.82 TLR2 (0.59) TLR2TNF
SCHEMBL29907904 0.81 CASP3 (0.55) TLR2CASP3TNFKMT2A

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-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS NEW YORK UNIVERSITY (US) 2015-08-20 — — 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-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 TLR2 2488/4885CASP3 3980/4885TNF 3823/4885

“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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