SCHEMBL23429029

SCHEMBL23429029

Cc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCN)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ FURIN P09958 9/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ROCK2 O75116 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ CHRNA1 P02708 1/20 0.35
▸ CHRNG P07510 1/20 0.35
▸ CHRNB1 P11230 1/20 0.35
▸ CHRND Q07001 1/20 0.35
▸ PLAU P00749 2/20 0.35
▸ HPN P05981 2/20 0.35
▸ C3AR1 Q16581 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PDF Q9HBH1 1/20 0.35

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
SCHEMBL21179855 0.93 C3AR1 (0.41) HTTFURINSMN1; SMN2ROCK2KLKB1
SCHEMBL22138596 0.92 FURIN (0.39) HTTFURINSMN1; SMN2ROCK2KLKB1
SCHEMBL20705515 0.92 FURIN (0.39) HTTFURINSMN1; SMN2ROCK2KLKB1
SCHEMBL22138594 0.92 FURIN (0.39) HTTFURINSMN1; SMN2ROCK2KLKB1
SCHEMBL27447192 0.92 FURIN (0.39) HTTFURINSMN1; SMN2ROCK2KLKB1
SCHEMBL24296990 0.91 FURIN (0.40) HTTFURINSMN1; SMN2ROCK2KLKB1
SCHEMBL15699830 0.89 SIRT5 (0.39) HTTFURINCHRNA1CHRNGCHRNB1
SCHEMBL19687790 0.88 SIRT5 (0.39) HTTFURINCHRNA1CHRNGCHRNB1
SCHEMBL24296989 0.87 FURIN (0.43) FURINROCK2CHRNA1CHRNGCHRNB1
SCHEMBL23051312 0.87 MAP1LC3B (0.38) HTTFURINCHRNA1CHRNGCHRNB1

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-20210162058-A1 ENGINEERED POLYPEPTIDE CONJUGATES USING TRANSGLUTAMINASE RINAT NEUROSCIENCE CORP. (US) 2021-06-03 — — 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-20210162058-A1 ENGINEERED POLYPEPTIDE CONJUGATES USING TRANSGLUTAMINASE TGM2, TGM3, TGM1 HTT 853/4885FURIN 842/4885SMN1; SMN2 4193/4885

“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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