SCHEMBL864086

SCHEMBL864086

CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(N)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
CYP2C9 P11712 5/20 0.44
CYP2C19 P33261 5/20 0.44
CYP1A2 P05177 2/20 0.44
KCNH2 Q12809 1/20 0.44
CMA1 P23946 10/20 0.43
ELANE P08246 2/20 0.43
CYP2D6 P10635 2/20 0.42
ACE P12821 1/20 0.40
KLK5 Q9Y337 1/20 0.39

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
SCHEMBL864087 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP1A2KCNH2
SCHEMBL864706 0.85 PREP (0.46)
SCHEMBL864707 0.85 PREP (0.46)
SCHEMBL865122 0.85 KCNH2 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2KCNH2
SCHEMBL865123 0.85 KCNH2 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2KCNH2
SCHEMBL16333118 0.82 CXCR2 (0.43)
SCHEMBL13160656 0.82 CXCR2 (0.43)
SCHEMBL13160627 0.80 XIAP (0.46) CMA1ACE
SCHEMBL864370 0.80 XIAP (0.46) CMA1ACE
SCHEMBL864369 0.80 XIAP (0.46) CMA1ACE

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 5 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

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 CYP3A4 2072/4885CYP2C9 2237/4885CYP2C19 1484/4885

“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.