SCHEMBL21746949

SCHEMBL21746949

N[C@@H](Cc1ccccc1)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 11/20 1.00
▸ DPP8 Q6V1X1 10/20 1.00
▸ DPP9 Q86TI2 10/20 1.00
▸ FAP Q12884 9/20 1.00
▸ PREP P48147 1/20 0.55
▸ TACR1 P25103 1/20 0.54

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
SCHEMBL8223018 0.93 DPP4 (0.86) DPP4DPP7DPP8DPP9FAP
SCHEMBL12658496 0.86 DPP4 (0.74) DPP4DPP7DPP8DPP9FAP
SCHEMBL13285560 0.84 DPP4 (0.72) DPP4DPP7DPP8DPP9FAP
SCHEMBL15028179 0.83 DPP4 (0.69) DPP4DPP7DPP8DPP9FAP
SCHEMBL6162266 0.83 DPP4 (0.73) DPP4DPP7DPP8DPP9FAP
SCHEMBL13263478 0.83 DPP4 (0.70) DPP4DPP7DPP8DPP9FAP
SCHEMBL18780182 0.83 DPP4 (0.70) DPP4DPP7DPP8DPP9FAP
SCHEMBL12658519 0.83 DPP4 (0.70) DPP4DPP7DPP8DPP9FAP
SCHEMBL24989201 0.82 DPP4 (0.69) DPP4DPP7DPP8DPP9FAP
SCHEMBL7375090 0.82 ACE (0.70) DPP4DPP7DPP8DPP9FAP

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 910/4885DPP8 904/4885
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 DPP4 1251/4885DPP7 910/4885DPP8 904/4885
US-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 DPP4 1251/4885DPP7 910/4885DPP8 904/4885

“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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