SCHEMBL864877

SCHEMBL864877

CC(C)(C)OC(=O)N1Cc2cc(OS(=O)(=O)C(F)(F)F)ccc2C[C@H]1C(=O)N1CCC[C@H]1C#N

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.50
HDAC8 Q9BY41 9/20 0.45
PTPN1 P18031 3/20 0.43
FAP Q12884 2/20 0.43
PREP P48147 1/20 0.41
DPP8 Q6V1X1 1/20 0.40

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
SCHEMBL7977842 0.89 DPP4 (0.64) DPP4HDAC8PTPN1FAPPREP
SCHEMBL7995839 0.89 DPP4 (0.64) DPP4HDAC8PTPN1FAPPREP
SCHEMBL864979 0.86 HDAC8 (0.48) HDAC8PTPN1
SCHEMBL7988406 0.85 DPP4 (0.48) DPP4HDAC8PTPN1FAPPREP
SCHEMBL7988401 0.85 DPP4 (0.48) DPP4HDAC8PTPN1FAPPREP
SCHEMBL7992051 0.85 DPP4 (0.50) DPP4HDAC8PTPN1FAPPREP
SCHEMBL7992048 0.85 DPP4 (0.50) DPP4HDAC8PTPN1FAPPREP
SCHEMBL7989672 0.85 HDAC8 (0.50) DPP4HDAC8FAPPREP
SCHEMBL7988600 0.84 HDAC8 (0.52) DPP4HDAC8PTPN1PREP
SCHEMBL7989903 0.84 HDAC8 (0.53) DPP4HDAC8

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 6 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
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
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
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 217/4885HDAC8 2636/4885PTPN1 3970/4885

“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.