SCHEMBL3313757

SCHEMBL3313757

CC(C)(C)OC(=O)NCCn1c(=O)c2ccccc2n(CC(=O)O)c1=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.47
MAPT P10636 4/20 0.47
APEX1 P27695 1/20 0.47
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL16688539 0.81 NPC1 (0.49) CNR2APEX1
SCHEMBL13361521 0.79 S1PR2 (0.58) MAPTTSHR
SCHEMBL3312105 0.79 S1PR2 (0.71) MAPT
SCHEMBL6514398 0.78 ALDH1A1 (0.54) KDM4E
SCHEMBL3312112 0.77 S1PR2 (0.48) MAPT
SCHEMBL18180338 0.77 APEX1 (0.73) CNR2MAPTAPEX1KDM4E
SCHEMBL22068701 0.77 POLB (0.52) CNR2TSHR
SCHEMBL27767304 0.76 APEX1 (0.47) CNR2MAPTAPEX1KDM4E
SCHEMBL24822482 0.76 CNR2 (0.48) CNR2
SCHEMBL30320111 0.75 APEX1 (0.61) MAPTAPEX1KDM4ETSHR

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
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2014-07-03 US disclosed
US-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 US disclosed
CN-101622234-B Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG 2013-08-07 CN disclosed
US-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2010-05-06 US disclosed
CN-101622234-A Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG 2010-01-06 CN disclosed
EP-2132186-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS Novartis AG (CH) 2009-12-16 EP disclosed
WO-2008107436-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2008-09-12 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 (2 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-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 CNR2 48/4885MAPT 3853/4885APEX1 4035/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 CNR2 52/4885MAPT 4020/4885APEX1 3687/4885

“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.