SCHEMBL865441

SCHEMBL865441

CC(C)(C)OC(=O)NC(Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1F)C(=O)N1CCC[C@H]1C#N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.43
DPP8 Q6V1X1 11/20 0.43
DPP9 Q86TI2 7/20 0.43
FAP Q12884 5/20 0.43
PREP P48147 2/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
DPP7 Q9UHL4 5/20 0.42
ACE P12821 1/20 0.39
SCN9A Q15858 1/20 0.38

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
SCHEMBL865440 1.00 DPP4 (0.43) DPP4DPP8DPP9FAPPREP
SCHEMBL865442 1.00 DPP4 (0.43) DPP4DPP8DPP9FAPPREP
SCHEMBL13160628 0.88 DPP4 (0.43) DPP4DPP8DPP9FAPPREP
SCHEMBL13160627 0.87 XIAP (0.46) ACE
SCHEMBL864371 0.87 XIAP (0.46) ACE
SCHEMBL864370 0.87 XIAP (0.46) ACE
SCHEMBL864369 0.87 XIAP (0.46) ACE
SCHEMBL864372 0.84 P2RX7 (0.45) CTSSCTSK
SCHEMBL864594 0.82 KMT2A (0.42) DPP4DPP9CTSSCTSKDPP7
SCHEMBL864596 0.82 KMT2A (0.42) DPP4DPP9CTSSCTSKDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
EP-2406247-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103333-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO 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-20120077793-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 DPP4 217/4885DPP8 615/4885DPP9 260/4885

“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.