SCHEMBL6006458

SCHEMBL6006458

CCCCC(N[C]=O)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NOD1 Q9Y239 3/20 0.39
ACE P12821 2/20 0.38
CAD P27708 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.36
TSHR P16473 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34

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
SCHEMBL8176274 0.89 L3MBTL1 (0.42) CA1CA2KMT2APOLBL3MBTL1
SCHEMBL222755 0.87 CA1 (0.52) CA1CA2ZDHHC7TSHRCTSS
SCHEMBL8176228 0.81 CAD (0.41) KMT2APOLBL3MBTL1CADTSHR
SCHEMBL8533180 0.81 L3MBTL1 (0.63) KMT2APOLBL3MBTL1NOD1CAD
SCHEMBL3185989 0.76 PPID (0.43) KMT2APOLBL3MBTL1CADTAS1R3
SCHEMBL6005311 0.76 CA1 (0.41) CA1CA2POLBL3MBTL1ZDHHC7
SCHEMBL7400219 0.75 PDF (0.39) CA1CA2NOD1CTSSCTSK
SCHEMBL15715750 0.75 DPP7 (0.42) CA1CA2KMT2APOLBL3MBTL1
SCHEMBL22455743 0.74 ZDHHC7 (0.46) CA1CA2KMT2APOLBL3MBTL1
SCHEMBL8310226 0.74 TSHR (0.39) CA1CA2L3MBTL1ACETSHR

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 791/4885KMT2A 2387/4885

“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.