SCHEMBL6474079

SCHEMBL6474079

COC(=O)[C@@H]1CS[C@@H]2C[C@@](CC(C)C)(NC(=O)OC(C)(C)C)C(=O)N21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.35
GFER P55789 1/20 0.32
AGTR2 P50052 2/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
PPIA P62937 1/20 0.30

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
SCHEMBL6063409 1.00 DPP4 (0.35) DPP4GFERAGTR2KDM4ELMNA
SCHEMBL6479927 1.00 DPP4 (0.35) DPP4GFERAGTR2KDM4ELMNA
SCHEMBL6062357 0.91 DPP4 (0.36) DPP4GFERAGTR2KDM4ELMNA
SCHEMBL6062214 0.91 DPP4 (0.38) DPP4GFERAGTR2KDM4ELMNA
SCHEMBL6063522 0.91 DPP4 (0.36) DPP4GFERAGTR2KDM4ELMNA
SCHEMBL8294822 0.89 PPIA (0.31) PPIA
SCHEMBL1728832 0.85 DPP4 (0.35) DPP4GFERPPIA
SCHEMBL1728385 0.85 DPP4 (0.35) DPP4GFERPPIA
SCHEMBL1728242 0.85 DPP4 (0.35) DPP4GFERPPIA
SCHEMBL6479943 0.83 PPIA (0.40) DPP4GFERAGTR2PPIA

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-20050059716-A1 Novel bicyclic cyanoheterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-17 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-20050059716-A1 Novel bicyclic cyanoheterocycles, process for their preparation and their use as medicaments CYP11B2, GOT2, CYP11B1 DPP4 374/4885GFER 2016/4885AGTR2 29/4885

“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.