SCHEMBL6006550

SCHEMBL6006550

CC(NC(=O)OC(C)(C)C)O[C]=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CTSK P43235 11/20 0.44
CTSS P25774 6/20 0.44
CYP2D6 P10635 1/20 0.42
CTSL P07711 3/20 0.42
CTSB P07858 2/20 0.42
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6005135 0.79 ACACB (0.32)
SCHEMBL19386327 0.78 CA1 (0.52) CA1CA2CA7CTSKCTSS
SCHEMBL2357252 0.76 CA1 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL2401751 0.76 CA1 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL8136033 0.76 CA1 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL10630215 0.76 CA1 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL24069882 0.74 CA1 (0.57) CA1CA2CA7CTSKCTSS
SCHEMBL10652 0.74 CA1 (0.57) CA1CA2CA7CTSKCTSS
SCHEMBL1901957 0.74 CA1 (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL15801598 0.73 CTSK (0.50) CA1CA2CA7CTSKCTSS

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
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP 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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 CA1 3547/4885CA2 791/4885CA7 1687/4885

“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.