SCHEMBL335545

SCHEMBL335545

COC(=O)c1ccc(-c2c(C(=O)OC)c3cc(Oc4cccc(Cl)c4)ccc3n2-c2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 6/20 0.44
BCL2 P10415 5/20 0.44
MCL1 Q07820 5/20 0.44
TP53 P04637 1/20 0.39
MAPT P10636 5/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
USP14 P54578 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
MGLL Q99685 1/20 0.38
PTGES O14684 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL333633 0.92 BCL2 (0.44) MDM2BCL2MCL1TP53MAPT
SCHEMBL334104 0.89 MDM2 (0.42) MDM2BCL2MCL1TP53MAPT
SCHEMBL333886 0.89 RXRA (0.45) MDM2BCL2MCL1USP14MGLL
SCHEMBL27717567 0.88 PPARG (0.41) MDM2BCL2MCL1TP53MAPT
SCHEMBL333957 0.86 MAPT (0.42) MAPTMAPK1HTTPKMHPGD
SCHEMBL333981 0.85 MDM2 (0.44) MDM2BCL2MCL1TP53MAPT
SCHEMBL333729 0.85 MAPT (0.54) MDM2BCL2MCL1TP53MAPT
SCHEMBL333958 0.83 KDM4E (0.42) MAPTMAPK1HTTPKMHPGD
SCHEMBL27697434 0.80 PTGER4 (0.44) SMN1; SMN2USP14MGLLKDM4E
SCHEMBL333553 0.80 USP14 (0.45) MDM2BCL2MCL1HPGDUSP14

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-8097623-B2 1-Aryl-or heteroaryl-3-aryl-or heteroarylindole-2-carboxylic acids or esters: e.g., 5-(4-tert-Butylphenyl)-1,3-bis(4-isopropoxyphenyl)-indole-2-carboxylic acid; inhibition of the activity of microsomal prostaglandin E synthase-1, leukotriene C4 and/or 5-lipoxygenase-activating protein; analgesics BIOLIPOX AB (SE) 2012-01-17 US disclosed
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-03-19 US disclosed
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 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-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG MDM2 917/4885BCL2 325/4885MCL1 880/4885

“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.