SCHEMBL29385108

SCHEMBL29385108

CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.56
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ CTSK P43235 4/20 0.48
▸ MME P08473 1/20 0.48
▸ ANPEP P15144 1/20 0.48
▸ CTSB P07858 1/20 0.48

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
SCHEMBL29386568 0.95 PTPN1 (0.57) PTPN1HDAC1HDAC2CTSKMME
SCHEMBL29384584 0.90 PTPN1 (0.54) PTPN1
SCHEMBL30690827 0.90 HDAC1 (0.60) HDAC1HDAC2MMEANPEP
SCHEMBL9449847 0.89 CTSK (0.57) PTPN1HDAC1HDAC2CTSKCTSB
SCHEMBL13154988 0.87 PTPN1 (0.51) PTPN1
SCHEMBL29480470 0.84 CTSK (0.57) PTPN1CTSKCTSB
SCHEMBL15505343 0.84 FDFT1 (0.48) PTPN1
SCHEMBL13154758 0.83 CTSK (0.60) CTSKCTSB
SCHEMBL12214455 0.83 PTPN1 (0.52) PTPN1HDAC1HDAC2
SCHEMBL21467220 0.83 CTSK (0.57) CTSKMMEANPEPCTSB

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-20220047698-A1 SYNTHETIC INNATE IMMUNE RECEPTOR LIGANDS AND USES THEREOF ALBERTA RES CHEMICALS INC (CA) 2022-02-17 — — 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-20220047698-A1 SYNTHETIC INNATE IMMUNE RECEPTOR LIGANDS AND USES THEREOF TLR3, TLR4, TLR9 PTPN1 234/4885HDAC1 4288/4885HDAC2 4733/4885

“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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