SCHEMBL6006436

SCHEMBL6006436

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
CTSK P43235 2/20 0.32
CTSS P25774 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ACACB O00763 2/20 0.31
TGFBR1 P36897 1/20 0.31
CHRM1 P11229 1/20 0.30

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
SCHEMBL6008505 0.85 ACACB (0.33) EPHX1CA1CA2ACACB
SCHEMBL8865632 0.80 EPHX1 (0.36) EPHX1CTSKCTSSTAS1R3TAS1R1
SCHEMBL1991647 0.77 EPHX1 (0.34) EPHX1CTSKCTSSTAS1R3TAS1R1
SCHEMBL6008615 0.76 SMN1; SMN2 (0.41) CTSKCTSSCA1CA2ZDHHC7
SCHEMBL6008153 0.74 EPHX1 (0.44) EPHX1ALDH1A1ZDHHC7
SCHEMBL27900343 0.72 EPHX1 (0.36) EPHX1CTSKCTSSTAS1R3TAS1R1
SCHEMBL28279224 0.71 CTSK (0.41) EPHX1CTSKCTSSTAS1R3TAS1R1
SCHEMBL15961884 0.70 ALDH1A1 (0.44) EPHX1TAS1R3TAS1R1HDAC7HDAC8
SCHEMBL16240316 0.70 ZDHHC7 (0.38) EPHX1CTSKCTSSTAS1R3TAS1R1
SCHEMBL6005135 0.70 ACACB (0.32) ACACB

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 EPHX1 3176/4885CTSK 3392/4885CTSS 4001/4885

“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.