SCHEMBL23425577

SCHEMBL23425577

CCNC(=O)COCC(=O)NC(CCCCN)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.45
▸ PDF Q9HBH1 1/20 0.43
▸ PLG P00747 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ CALCRL Q16602 1/20 0.40
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ TLR2 O60603 2/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ MEF2D Q14814 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ SPHK1 Q9NYA1 1/20 0.37
▸ CHRND Q07001 4/20 0.37

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
SCHEMBL25100592 0.86 SIRT2 (0.42) KLKB1PDFSSTR3SIRT2SIRT1
SCHEMBL17090699 0.83 KLKB1 (0.46) KLKB1PDFPLGSSTR3CALCRL
SCHEMBL16984908 0.82 CALCRL (0.51) PLGSSTR3CALCRLSIRT2SIRT1
SCHEMBL16854865 0.81 CALCRL (0.54) PLGSSTR3CALCRLLTA4HHDAC4
SCHEMBL17067271 0.81 KLKB1 (0.47) KLKB1PDFPLGSSTR3CALCRL
SCHEMBL25052999 0.80 SIRT2 (0.51) SIRT2SIRT1TLR2
SCHEMBL26283842 0.78 CPB1 (0.49) KLKB1SIRT2SIRT1ROCK2
SCHEMBL18738463 0.77 SMN1; SMN2 (0.45) KLKB1PDFPLGCALCRLSPHK1
SCHEMBL24864663 0.77 KLKB1 (0.48) KLKB1PDFPLGSSTR3CALCRL
SCHEMBL27410343 0.77 CA1 (0.53) CA1CA2SIRT2SIRT1HDAC4

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-11020489-B2 Immunoconjugates with an intracellularly-cleavable linkage IMMUNOMEDICS, INC. (US) 2021-06-01 — — 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-11020489-B2 Immunoconjugates with an intracellularly-cleavable linkage CD47, CD44, DNPEP KLKB1 314/4885PDF 600/4885PLG 373/4885

“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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