SCHEMBL6005311

SCHEMBL6005311

CCCC(N[C]=O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.39
TAS1R3 Q7RTX0 5/20 0.38
TAS1R1 Q7RTX1 5/20 0.38
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
BIRC2 Q13490 2/20 0.33
POLB P06746 1/20 0.33
HDAC2 Q92769 2/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL222755 0.89 CA1 (0.52) CA1CA2ZDHHC7TAS1R3TAS1R1
SCHEMBL8176274 0.86 L3MBTL1 (0.42) CA1CA2HDAC7HDAC8HDAC6
SCHEMBL6008014 0.83 CA1 (0.39) CA1CA2ZDHHC7TAS1R3TAS1R1
SCHEMBL8310226 0.82 TSHR (0.39) CA1CA2CTSSCTSKSLC6A3
SCHEMBL21243821 0.81 TSHR (0.43) CA1CA2POLBTSHRL3MBTL1
SCHEMBL2702421 0.79 MME (0.39) CA1CA2TAS1R3TAS1R1SMN1; SMN2
SCHEMBL3486105 0.79 MME (0.39) CA1CA2TAS1R3TAS1R1SMN1; SMN2
SCHEMBL28344783 0.78 CA1 (0.42) CA1CA2ZDHHC7TAS1R3TAS1R1
SCHEMBL10173639 0.77 CA1 (0.45) CA1CA2ZDHHC7TAS1R3TAS1R1
SCHEMBL26076486 0.77 CA1 (0.45) CA1CA2ZDHHC7TAS1R3TAS1R1

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 791/4885ZDHHC7 211/4885

“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.