SCHEMBL21726052

SCHEMBL21726052

COCc1ccc(NC(=O)C(CCCCN)NC(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ KLKB1 P03952 1/20 0.50
▸ LTA4H P09960 1/20 0.47
▸ SIRT1 Q96EB6 2/20 0.45
▸ PDF Q9HBH1 1/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.45
▸ CPA1 P15085 1/20 0.45
▸ CPA2 P48052 1/20 0.45
▸ CPA4 Q9UI42 1/20 0.45
▸ SSTR3 P32745 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ LNPEP Q9UIQ6 1/20 0.42
▸ ACACB O00763 1/20 0.42
▸ GRIA1 P42261 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
SCHEMBL16418621 0.89 KLKB1 (0.49) CA1CA2KLKB1LTA4HSIRT1
SCHEMBL24774255 0.88 LTA4H (0.49) CA1CA2KLKB1LTA4HSIRT1
SCHEMBL21527195 0.83 CA1 (0.54) CA1CA2SIRT1PDFSIRT6
SCHEMBL15810600 0.83 KLKB1 (0.43) KLKB1LTA4HSIRT1PDFSSTR3
SCHEMBL6287948 0.83 CA1 (0.49) CA1CA2KLKB1SIRT1PDF
SCHEMBL13411054 0.81 SSTR3 (0.60) LTA4HSSTR3MMP3
SCHEMBL24774073 0.80 KLKB1 (0.44) KLKB1LTA4HSIRT1PDFSSTR3
SCHEMBL16645118 0.79 FURIN (0.47) KLKB1LTA4HSIRT1PDFSSTR3
SCHEMBL20303610 0.79 PDF (0.69) CA1CA2KLKB1SIRT1PDF
SCHEMBL20303609 0.79 PDF (0.69) CA1CA2KLKB1SIRT1PDF

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-10561738-B2 Immunoconjugates with an intracellularly-cleavable linkage IMMUNOMEDICS, INC. (US) 2020-02-18 — — 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-10561738-B2 Immunoconjugates with an intracellularly-cleavable linkage CD47, CD44, DNPEP CA1 401/4885CA2 2076/4885KLKB1 314/4885

“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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