SCHEMBL856533

SCHEMBL856533

CCOC(=O)Cc1c(Cl)ccc2c1cc(C=O)n2C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.47
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
AKR1C3 P42330 3/20 0.39
HTR1A P08908 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
GLO1 Q04760 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
AKR1C2 P52895 1/20 0.36

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
SCHEMBL856033 0.86 PTGS2 (0.50) PTGS2CNR2CNR1AKR1C3HTR1A
SCHEMBL6264364 0.86 PTGS2 (0.38) PTGS2CNR2CNR1AKR1C3HTR1A
SCHEMBL6268445 0.81 PTGS2 (0.46) PTGS2CNR2CNR1AKR1C3HTR1A
SCHEMBL989998 0.72 KDM4E (0.41) PTGS2KDM4ELMNA
SCHEMBL3591481 0.71 KDM4E (0.40) PTGS2KDM4ELMNA
SCHEMBL31750324 0.69 KDM4E (0.42) PTGS2KDM4ELMNA
SCHEMBL991313 0.67 PTGS2 (0.54) PTGS2CNR2CNR1HTR1APKM
SCHEMBL991440 0.66 KDM4E (0.43) KDM4ELMNA
SCHEMBL3591326 0.66 PTGS2 (0.50) PTGS2CNR2CNR1AKR1C3HTR1A
SCHEMBL3586690 0.65 KDM4E (0.42) KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2075249-B1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-7820672-B2 3-[5-chloro-6-methyl-2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-4-( 1H-indol-3-yl)-pyrrole-2,5-dione; T lymphocytes, Protein Kinase C (PKC) and glycogen synthase kinase 3 beta (GSK3B) mediated diseases; NOVARTIS AG (CH) 2010-10-26 US disclosed
EP-1597250-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2010-04-07 EP disclosed
EP-2075249-A2 Indolylmaleimide derivatives Novartis AG (CH) 2009-07-01 EP disclosed
US-20060058356-A1 Indolylmaleimide derivatives NOVARTIS AG 2006-03-16 US disclosed
EP-1597250-A2 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2005-11-23 EP disclosed
WO-2004072062-A2 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2004-08-26 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-20060058356-A1 Indolylmaleimide derivatives GSK3B, GSK3A, GSKIP PTGS2 2244/4885CNR2 2793/4885CNR1 3424/4885

“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.