SCHEMBL21132205

SCHEMBL21132205

CC(C)(C)COC(C)(C)CCn1cc(CNC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)nn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.43
▸ IL2 P60568 1/20 0.43
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ GBA1 P04062 2/20 0.31
▸ GLS O94925 2/20 0.31
▸ HPGD P15428 1/20 0.30

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
SCHEMBL23278432 0.89 TTR (0.43) TTRIL2GAA
SCHEMBL22452432 0.85 TTR (0.46) TTRIL2GAAGLS
SCHEMBL25671065 0.85 TTR (0.44) TTRIL2GAAGLS
SCHEMBL23425576 0.85 TTR (0.47) TTRIL2ALDH1A1GBA1HPGD
SCHEMBL18193660 0.82 TTR (0.44) TTRIL2GAAALDH1A1HPGD
SCHEMBL24380612 0.79 TTR (0.43) TTRIL2GAAALDH1A1HPGD
SCHEMBL30645075 0.78 TTR (0.52) TTRIL2GBA1
SCHEMBL18912653 0.76 TTR (0.36) TTRIL2
SCHEMBL17011377 0.75 TTR (0.56) TTRIL2ALDH1A1GBA1HPGD
SCHEMBL18772725 0.74 TTR (0.55) TTRIL2GBA1HPGD

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-10322193-B1 Immunoconjugates with an intracellularly-cleavable linkage IMMUNOMEDICS, INC. (US) 2019-06-18 — — 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-10322193-B1 Immunoconjugates with an intracellularly-cleavable linkage CD47, CD44, DNPEP TTR 4028/4885IL2 322/4885GAA 251/4885

“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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