SCHEMBL5337035

SCHEMBL5337035

CC(C)(C)OC(=O)N1C(=O)C(C2=COc3ccccc3O2)=C(c2cn(C(=O)O)c3ccc(OCc4ccccc4)cc23)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
MAOB P27338 2/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SRD5A2 P31213 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
MAOA P21397 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 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
SCHEMBL5347008 0.94 GHSR (0.33) GHSRCASP3SENP8SENP7SENP6
SCHEMBL5339288 0.88 MAOB (0.38) CASP3SENP8SENP7SENP6MAOB
SCHEMBL5344531 0.83 GHSR (0.38) GHSRMAOBSRD5A2LTB4RLTB4R2
SCHEMBL5341756 0.82 SIRT2 (0.38) CASP3SENP8SENP7SENP6MAOB
Tert-Butyl Formate SCHEMBL27613151 0.81 MEN1 (0.36)
Tert-Butyl Formate SCHEMBL27613153 0.79 ALDH1A1 (0.40) PPARDPPARALTB4RLTB4R2PPARG
SCHEMBL5340172 0.77 GHSR (0.36) GHSRPPARDPPARAMAOBSRD5A2
SCHEMBL5333904 0.71 SIRT2 (0.44)
SCHEMBL5334606 0.70 MAOB (0.44) PPARDPPARAMAOBSRD5A2LTB4R
SCHEMBL5122537 0.69 MEN1 (0.47) CASP3SENP8SENP7SENP6MAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202255-B2 Substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2007-04-10 US disclosed
EP-1587810-B1 NOVEL SUBSTITUTED 1,4|BENZODIOXINO 2,3-E|ISOINDOLE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2006-11-08 EP disclosed
US-20060040930-A1 Novel substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2006-02-23 US 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-20060040930-A1 Novel substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same CYP11B2, CYP2F1, CYP3A43 GHSR 770/4885CASP3 1406/4885SENP8 4196/4885

“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.