SCHEMBL4698563

SCHEMBL4698563

CCOC(=O)c1c(NC(C)=O)c2cc(-c3ccc(C(F)(F)F)cn3)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.39
SCN9A Q15858 2/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 6/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
TP53 P04637 2/20 0.35
MCHR1 Q99705 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
FOS P01100 1/20 0.34
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
BCL2 P10415 1/20 0.34
MDM2 Q00987 1/20 0.34
MCL1 Q07820 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
SCHEMBL4700279 0.91 PTGES (0.38) PTGESSCN9AKDM4EL3MBTL1MAPT
SCHEMBL4698138 0.90 PTGES (0.44) PTGESPPARGPPARA
SCHEMBL3001790 0.89 KDM4E (0.40) PTGESSCN9AKDM4EL3MBTL1MAPT
SCHEMBL3000835 0.89 KMT2A (0.43) PTGESKDM4EL3MBTL1MAPTPPARG
SCHEMBL2997500 0.88 KDM4E (0.40) PTGESSCN9AKDM4EL3MBTL1MAPT
SCHEMBL3008051 0.88 KDM4E (0.39) PTGESSCN9AKDM4EL3MBTL1MAPT
SCHEMBL3006452 0.88 KDM4E (0.39) PTGESSCN9AKDM4EL3MBTL1MAPT
SCHEMBL3001004 0.88 KDM4E (0.39) PTGESSCN9AKDM4EL3MBTL1MAPT
SCHEMBL3010510 0.86 PTGES (0.38) PTGESSCN9AKDM4EL3MBTL1MAPT
SCHEMBL334166 0.86 PTGES (0.40) PTGESSCN9AKDM4EL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778633-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-12-03 EP disclosed
US-20080188473-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-08-07 US disclosed
EP-1778633-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123674-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-20080188473-A1 Indoles Useful in the Treatment of Inflammation IDO1, PTGS1, PTGER1 PTGES 4/4885SCN9A 3947/4885KDM4E 2149/4885

“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.