SCHEMBL13285559

SCHEMBL13285559

CCC(NC(=O)[C@H](C)NC(=O)C(N)C1CCCCC1)C(=O)N1CCC[C@H]1B(O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 18/20 0.59
▸ DPP7 Q9UHL4 15/20 0.59
▸ FAP Q12884 13/20 0.59
▸ DPP8 Q6V1X1 12/20 0.59
▸ DPP9 Q86TI2 11/20 0.59
▸ PREP P48147 6/20 0.50
▸ PITRM1 Q5JRX3 1/20 0.48

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
SCHEMBL15386522 1.00 DPP4 (0.59) DPP4DPP7FAPDPP8DPP9
SCHEMBL13259718 1.00 DPP4 (0.59) DPP4DPP7FAPDPP8DPP9
SCHEMBL15028066 0.90 DPP4 (0.51) DPP4DPP7FAPDPP8DPP9
SCHEMBL18780158 0.87 FAP (0.48) DPP4DPP7FAPDPP8DPP9
SCHEMBL15386478 0.85 DPP4 (0.61) DPP4DPP7FAPDPP8DPP9
SCHEMBL12658522 0.85 DPP4 (0.61) DPP4DPP7FAPDPP8DPP9
SCHEMBL13285634 0.83 DPP4 (0.56) DPP4DPP7FAPDPP8DPP9
SCHEMBL13263362 0.82 DPP4 (0.54) DPP4DPP7FAPDPP8DPP9
SCHEMBL15386545 0.82 DPP4 (0.54) DPP4DPP7FAPDPP8DPP9
SCHEMBL15386487 0.82 DPP4 (0.65) DPP4DPP7FAPDPP8DPP9

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-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors TRUSTEES OF TUFTS COLLEGE (US) 2010-07-01 — — 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-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC DPP4 8/4885DPP7 19/4885FAP 1/4885

“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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