SCHEMBL1759095

SCHEMBL1759095

Cc1cccc2c(=O)cc(C(=O)O)[nH]c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
TDP1 Q9NUW8 1/20 0.69
GPR35 Q9HC97 3/20 0.61
GAA P10253 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
GLA P06280 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
CYP1A2 P05177 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
AHR P35869 1/20 0.57
CHRNA7 P36544 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57

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
Xanthurenate SCHEMBL4455363 0.82 KDM4E (1.00) KDM4ETDP1GPR35GAAMEN1
SCHEMBL11180617 0.81 GAA (0.54) KDM4ETDP1GAAMEN1KMT2A
SCHEMBL14263893 0.81 KDM4E (0.69) KDM4ETDP1GPR35GAAMEN1
SCHEMBL30054313 0.80 GAA (0.77) KDM4ETDP1GPR35GAAMEN1
SCHEMBL11810085 0.79 GPR35 (0.70) KDM4ETDP1GPR35GAAMEN1
SCHEMBL2042234 0.78 NSD2 (0.66) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL9177067 0.78 ALDH1A1 (0.62) KDM4EGAAKMT2AALDH1A1HPGD
SCHEMBL30132108 0.78 ALDH1A1 (0.62) KDM4EGAAKMT2AALDH1A1HPGD
SCHEMBL1850124 0.78 KDM4E (0.53) KDM4ETDP1GPR35GAAMEN1
SCHEMBL11641819 0.76 GPR35 (1.00) KDM4ETDP1GPR35GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851739-B1 XANTHURENIC ACID DERIVATIVE PHARMACEUTICAL COMPOSITIONS AND METHODS RELATED THERETO NATURON INC (US) 2018-02-28 EP disclosed
EP-2947082-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-11-25 EP disclosed
US-9139587-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-09-22 US disclosed
EP-2676958-B1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-01 EP disclosed
CN-102695708-B N1-pyrazolospiroketone acetyl-coA carboxylase inhibitors PFIZER INC. (US) 2014-10-15 CN disclosed
US-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
US-8802690-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-08-12 US disclosed
EP-2676958-A1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors Pfizer Inc. (US) 2013-12-25 EP disclosed
EP-2499139-B1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2013-12-11 EP disclosed
US-20130296319-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. 2013-11-07 US disclosed
US-8507681-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2013-08-13 US disclosed
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC. (US) 2013-01-31 US disclosed
US-8288405-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-10-16 US disclosed
EP-2499140-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
EP-2499139-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-09-06 US disclosed
WO-2011058473-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2011058474-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 US 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 (5 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-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB KDM4E 1385/4885TDP1 3687/4885GPR35 4284/4885
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB KDM4E 1385/4885TDP1 3687/4885GPR35 4284/4885
US-20130296319-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB KDM4E 1311/4885TDP1 3636/4885GPR35 4330/4885
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB KDM4E 1385/4885TDP1 3687/4885GPR35 4284/4885
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS ACACA, PC, ACACB KDM4E 1533/4885TDP1 4123/4885GPR35 4375/4885

“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.