SCHEMBL3922652

SCHEMBL3922652

CC(=O)c1c(OCCCCNC(=O)OC(C)(C)C)cccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
CNR2 P34972 1/20 0.47
IDO1 P14902 1/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PTPN1 P18031 4/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
DRD2 P14416 3/20 0.44
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3919128 0.90 MAPT (0.48) BCHECNR2IDO1CA12CA1
SCHEMBL2895010 0.90 PTPN1 (0.51) BCHECNR2IDO1PTPN1PTPN22
SCHEMBL7778567 0.87 KDM4E (0.55) BCHECNR2IDO1CA12CA1
SCHEMBL3918481 0.86 IDO1 (0.48) BCHECNR2IDO1CA12CA1
SCHEMBL8821227 0.85 SCN9A (0.51) BCHECNR2IDO1CA12CA1
SCHEMBL3915966 0.85 CA12 (0.49) BCHECNR2IDO1CA12CA1
SCHEMBL3926178 0.85 IDO1 (0.47) BCHECNR2IDO1CA12CA1
SCHEMBL3927385 0.84 PTPN1 (0.54) PTPN1PTPN22
SCHEMBL3919830 0.84 CA12 (0.46) BCHECNR2IDO1CA12CA1
SCHEMBL1978348 0.83 DRD2 (0.51) CA12CA1CA2CA9DRD2

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
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC BCHE 1781/4885CNR2 3196/4885IDO1 353/4885

“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.