SCHEMBL3580587

SCHEMBL3580587

CC(C)Oc1ccc(-n2c(C(=O)O)c(Cl)c3cc(-c4ccc(OC5CCCC5)nc4)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.40
ACACB O00763 5/20 0.37
SYK P43405 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HRH3 Q9Y5N1 4/20 0.35
ACACA Q13085 1/20 0.35
BCL2 P10415 1/20 0.35
MDM2 Q00987 1/20 0.35
MCL1 Q07820 1/20 0.35
EDNRA P25101 2/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35

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
SCHEMBL3580289 0.83 PTGES (0.43) PTGESACACBACACABCL2MDM2
SCHEMBL3571629 0.79 EGLN1 (0.40) ACACBPDE4APDE4BPDE4CPDE4D
SCHEMBL3580817 0.78 PTGES (0.45) PTGESBCL2MDM2MCL1EDNRA
SCHEMBL4914585 0.77 PTGES (0.44) PTGESBCL2MDM2MCL1EDNRA
SCHEMBL4918295 0.77 PTGDR (0.42) PTGESEDNRA
SCHEMBL3583067 0.77 KMO (0.38) HRH3EDNRA
SCHEMBL4922648 0.77 MEN1 (0.37) PTGESACACBEDNRA
SCHEMBL3577031 0.76 DGAT1 (0.43)
SCHEMBL4922669 0.76 PTGDR (0.44) PTGESBCL2MDM2MCL1EDNRA
SCHEMBL4926153 0.75 PTGDR (0.41) PTGESHRH3

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
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 US disclosed
EP-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 WO 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PTGES 3/4885ACACB 2234/4885SYK 1324/4885

“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.