SCHEMBL1273473

SCHEMBL1273473

CC(C)(C)C(=O)[C@H]1C[C@H]2C[C@H]2N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.36

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
SCHEMBL14664099 0.80 CHRM2 (0.45) DPP4
SCHEMBL1759463 0.78 ATM (0.31) DPP4
SCHEMBL27156471 0.78 ATM (0.31) DPP4
SCHEMBL4102771 0.78 ATM (0.31) DPP4
SCHEMBL31527632 0.78 ATM (0.31) DPP4
SCHEMBL30985474 0.78 ATM (0.31) DPP4
SCHEMBL26607531 0.78 ATM (0.31) DPP4
SCHEMBL20329581 0.76 DPP4 (0.30) DPP4
SCHEMBL26897079 0.76 DPP4 (0.30) DPP4
SCHEMBL12416261 0.76 DPP4 (0.30) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20110034469-A1 Heterocyclic Compound BIRC5, XIAP, BIRC2 DPP4 185/4885
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 DPP4 1065/4885

“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.