SCHEMBL864979

SCHEMBL864979

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

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 11/20 0.48
PTPN1 P18031 4/20 0.44
UCHL1 P09936 1/20 0.41

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
SCHEMBL1724314 0.86 HDAC8 (0.47) HDAC8PTPN1
SCHEMBL864877 0.86 DPP4 (0.50) HDAC8PTPN1
SCHEMBL864907 0.84 ESR2 (0.48) HDAC8PTPN1UCHL1
SCHEMBL864906 0.84 ESR2 (0.48) HDAC8PTPN1UCHL1
SCHEMBL7989939 0.84 HDAC8 (0.48) HDAC8PTPN1
SCHEMBL7988510 0.82 UCHL1 (0.52) HDAC8UCHL1
SCHEMBL1724947 0.81 PTPN1 (0.44) HDAC8PTPN1
SCHEMBL5126474 0.80 PTPN1 (0.67) HDAC8PTPN1
SCHEMBL7977798 0.80 HDAC8 (0.45) HDAC8PTPN1UCHL1
SCHEMBL7743681 0.78 PTPN1 (0.54) HDAC8PTPN1

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 HDAC8 2636/4885PTPN1 3970/4885UCHL1 3908/4885

“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.