SCHEMBL21746377

SCHEMBL21746377

CC[C@@H](C)C(N)C(=O)N1Cc2ccc(O)cc2C1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 16/20 0.76
DPP9 Q86TI2 14/20 0.76
DPP8 Q6V1X1 14/20 0.76
DPP4 P27487 7/20 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
SCHEMBL24958752 0.85 DPP9 (1.00) DPP7DPP9DPP8DPP4
SCHEMBL29940763 0.84 DPP9 (1.00) DPP7DPP9DPP8DPP4
SCHEMBL14392574 0.84 DPP9 (1.00) DPP7DPP9DPP8DPP4
SCHEMBL9032632 0.76 DPP8 (0.82) DPP7DPP9DPP8DPP4
SCHEMBL9032640 0.76 DPP8 (0.82) DPP7DPP9DPP8DPP4
SCHEMBL31463295 0.72 ABHD6 (0.46) DPP7DPP9DPP8DPP4
SCHEMBL21747126 0.71 DPP4 (0.74) DPP7DPP9DPP8DPP4
SCHEMBL14067114 0.71 NOTUM (0.62)
SCHEMBL30142515 0.71 ABHD6 (0.53) DPP9DPP4
SCHEMBL12879433 0.71 ABHD6 (0.57)

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-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 (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-20200054655-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 DPP7 910/4885DPP9 1286/4885DPP8 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.