SCHEMBL29406348

SCHEMBL29406348

C[C@H](N)C(=O)N[C@@H](CCN)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.51
▸ GABRR1 P24046 2/20 0.47
▸ ACE P12821 1/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ FOLH1 Q04609 6/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ GNPAT O15228 1/20 0.40
▸ ECE1 P42892 2/20 0.39
▸ NAALAD2 Q9Y3Q0 4/20 0.38
▸ RIMKLA Q8IXN7 1/20 0.38
▸ CTRB1 P17538 1/20 0.37
▸ ALDH1A1 P00352 1/20 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
SCHEMBL27793445 0.89 NOD1 (0.56) NOD1ACEDPP4FOLH1DPP8
SCHEMBL29674589 0.89 NOD1 (0.56) NOD1ACEDPP4FOLH1DPP8
SCHEMBL27793444 0.89 NOD1 (0.56) NOD1ACEDPP4FOLH1DPP8
SCHEMBL29406243 0.89 NOD1 (0.56) NOD1ACEDPP4FOLH1DPP8
SCHEMBL1711242 0.87 FOLH1 (0.57) NOD1FOLH1GNPAT
SCHEMBL29563714 0.87 FOLH1 (0.57) NOD1FOLH1GNPAT
SCHEMBL29368554 0.87 FOLH1 (0.57) NOD1FOLH1GNPAT
SCHEMBL29511099 0.87 FOLH1 (0.57) NOD1FOLH1GNPAT
SCHEMBL1711244 0.87 FOLH1 (0.57) NOD1FOLH1GNPAT
SCHEMBL29405941 0.86 FOLH1 (0.55) NOD1FOLH1GNPAT

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-20220062371-A1 LIGAND-DRUG-CONJUGATES AS SUBSTRATES FOR SELECTIVE CLEAVAGE BY THE EXOPEPTIDASE ACTIVITY OF CATHEPSIN B DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2022-03-03 — — 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-20220062371-A1 LIGAND-DRUG-CONJUGATES AS SUBSTRATES FOR SELECTIVE CLEAVAGE BY THE EXOPEPTIDASE ACTIVITY OF CATHEPSIN B CTSB, CTSE, CTSV NOD1 3437/4885GABRR1 4118/4885ACE 256/4885

“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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