SCHEMBL4717487

SCHEMBL4717487

CC(C)COc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MYC P01106 3/20 0.64
MAX P61244 3/20 0.64
EP300 Q09472 1/20 0.58
HIF1A Q16665 1/20 0.58
XDH P47989 1/20 0.55
HCAR3 P49019 4/20 0.55
PLA2G4B P0C869 1/20 0.55
CASP6 P55212 1/20 0.54
TSHR P16473 1/20 0.54
PRSS1 P07477 1/20 0.52

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
SCHEMBL5152657 0.89 PRSS1 (0.53) MYCMAXEP300HIF1AHCAR3
SCHEMBL5152664 0.89 PRSS1 (0.53) MYCMAXEP300HIF1AHCAR3
SCHEMBL6209803 0.89 PRSS1 (0.53) MYCMAXEP300HIF1AHCAR3
SCHEMBL5152661 0.89 PRSS1 (0.53) MYCMAXEP300HIF1AHCAR3
SCHEMBL527704 0.89 MYC (0.78) MYCMAXEP300HIF1AHCAR3
SCHEMBL17395859 0.89 ALDH1A1 (0.59) MYCMAXHIF1AXDHTSHR
SCHEMBL7697860 0.88 HCAR3 (0.56) MYCMAXHCAR3PLA2G4BCASP6
SCHEMBL7690520 0.88 HCAR3 (0.56) MYCMAXHCAR3PLA2G4BCASP6
SCHEMBL4717489 0.88 PDK1 (0.52) MYCMAXEP300HIF1AXDH
SCHEMBL4718892 0.86 AR (0.67) MYCMAXEP300HIF1AXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1452528-B1 XANTHINE OXIDASE INHIBITORS NIPPON CHEMIPHAR CO (JP) 2008-08-13 EP disclosed
CN-101092400-A Xanthine oxidase inhibitor NIPPON CHEMIPHAR CO (JP) 2007-12-26 CN disclosed
US-20070265283-A1 Xanthine Oxidase Inhibitor NIPPON CHEMIPHAR CO., LTD. 2007-11-15 US disclosed
CN-100338040-C xanthine oxidase inhibiting compounds NIPPON CHEMIPHAR CO (JP) 2007-09-19 CN disclosed
US-7253154-B2 Substituted thiazolopyrimidines as xanthine oxidase inhibitors NIPPON CHEMIPHAR CO., LTD. (JP) 2007-08-07 US disclosed
CN-1615299-A Xanthine oxidase inhibitors NIPPON CHEMIPHAR CO (JP) 2005-05-11 CN disclosed
US-20050090472-A1 Xanthine oxidase inhibitors NIPPON CHEMIPHAR CO., LTD. (JP) 2005-04-28 US disclosed
EP-1452528-A1 XANTHINE OXIDASE INHIBITORS NIPPON CHEMIPHAR CO., LTD. (JP) 2004-09-01 EP 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-20050090472-A1 Xanthine oxidase inhibitors XDH, CBR1, NOX1 MYC 4502/4885MAX 1587/4885EP300 2103/4885
US-20070265283-A1 Xanthine Oxidase Inhibitor XDH, CBR1, NOX1 MYC 4438/4885MAX 1465/4885EP300 2159/4885

“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.