SCHEMBL21746371

SCHEMBL21746371

CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 1.00
DPP7 Q9UHL4 14/20 1.00
FAP Q12884 10/20 1.00
DPP8 Q6V1X1 10/20 1.00
DPP9 Q86TI2 9/20 1.00
PREP P48147 4/20 0.74
PITRM1 Q5JRX3 1/20 0.74

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
SCHEMBL8286530 1.00 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
Talabostat SCHEMBL14160935 0.85 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
Talabostat SCHEMBL393024 0.85 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
Talabostat SCHEMBL6895250 0.85 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
Talabostat SCHEMBL12185345 0.85 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
Talabostat SCHEMBL14160998 0.85 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
Talabostat SCHEMBL4320843 0.85 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
Talabostat SCHEMBL21156686 0.85 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
Talabostat SCHEMBL14160999 0.85 DPP4 (1.00) DPP4DPP7FAPDPP8DPP9
SCHEMBL12285805 0.84 DPP4 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE 2023-11-23 US disclosed
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE 2023-11-23 US disclosed
US-11559537-B2 Combination therapies using caspase-1 dependent anticancer agents and PGE2 antagonists TRUSTEES OF TUFTS COLLEGE (US) 2023-01-24 US disclosed
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE 2020-02-20 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 (3 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-11559537-B2 Combination therapies using caspase-1 dependent anticancer agents and PGE2 antagonists CASP1, CASP2, APAF1 DPP4 1251/4885DPP7 910/4885FAP 394/4885
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 DPP4 1251/4885DPP7 910/4885FAP 394/4885
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 DPP4 1251/4885DPP7 910/4885FAP 394/4885

“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.