SCHEMBL12658496

SCHEMBL12658496

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.74
▸ FAP Q12884 3/20 0.74
▸ DPP8 Q6V1X1 2/20 0.74
▸ DPP9 Q86TI2 2/20 0.74
▸ DPP7 Q9UHL4 2/20 0.74
▸ PREP P48147 2/20 0.59
▸ OPRM1 P35372 3/20 0.53
▸ OPRD1 P41143 2/20 0.53
▸ OPRK1 P41145 1/20 0.53

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
SCHEMBL12658453 0.92 OPRM1 (0.66) DPP4FAPDPP8DPP9DPP7
SCHEMBL12658497 0.92 DPP4 (0.74) DPP4FAPDPP8DPP9DPP7
SCHEMBL18780178 0.88 FAP (0.58) DPP4FAPDPP8DPP9DPP7
SCHEMBL12658504 0.88 FAP (0.58) DPP4FAPDPP8DPP9DPP7
SCHEMBL15386494 0.88 FAP (0.58) DPP4FAPDPP8DPP9DPP7
SCHEMBL29351630 0.87 OPRM1 (0.58) DPP4FAPDPP8DPP9DPP7
SCHEMBL21746949 0.86 DPP4 (1.00) DPP4FAPDPP8DPP9DPP7
SCHEMBL13263478 0.85 DPP4 (0.70) DPP4FAPDPP8DPP9DPP7
SCHEMBL12658519 0.85 DPP4 (0.70) DPP4FAPDPP8DPP9DPP7
SCHEMBL18780182 0.85 DPP4 (0.70) DPP4FAPDPP8DPP9DPP7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors BACH BIOSCIENCES, LLC 2013-11-14 — — US disclosed
EP-2319523-A1 Serine protease inhibitors Trustees Of Tufts College (US) 2011-05-11 — — EP disclosed
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 (2 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-20130303435-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC DPP4 8/4885FAP 1/4885DPP8 21/4885
US-20100168032-A1 Smart Pro-Drugs of Serine Protease Inhibitors FAP, PREP, CTSC DPP4 8/4885FAP 1/4885DPP8 21/4885

“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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