SCHEMBL8628

SCHEMBL8628

O=C(O)c1ccc2c(c1)cc(C(=O)O)n2O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.63
DAO P14920 1/20 0.62
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MCL1 Q07820 2/20 0.44
CCR2 P41597 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HCAR3 P49019 1/20 0.40
GPR35 Q9HC97 1/20 0.40
PTPN1 P18031 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL7798 0.88 DAO (0.62) LDHADAOKDM4EHSD17B10ALDH1A1
SCHEMBL7864 0.82 LDHA (0.78) LDHADAOCCR2GAA
SCHEMBL5889548 0.80 KDM4E (0.68) KDM4EHSD17B10ALDH1A1HPGDMCL1
SCHEMBL14118540 0.80 KDM4E (0.68) LDHADAOKDM4EHSD17B10ALDH1A1
SCHEMBL8987 0.78 PKM (0.51) LDHADAOHPGDSMN1; SMN2GAA
SCHEMBL14118359 0.78 LDHA (0.55) LDHADAOKDM4EPOLBL3MBTL1
SCHEMBL13308 0.77 LDHA (1.00) LDHADAOALDH1A1MCL1CCR2
SCHEMBL7561 0.77 DAO (1.00) LDHADAOALDH1A1MCL1CCR2
SCHEMBL13306 0.76 LDHA (0.79) LDHADAOKDM4EHSD17B10CCR2
SCHEMBL14118527 0.76 LDHA (0.56) LDHADAOKDM4EHSD17B10ALDH1A1

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-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 US disclosed
EP-2499114-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Universita Di Pisa (IT) 2012-09-19 EP disclosed
CN-102639497-A Compounds inhibitors of enzyme lactate dehydrogenase (LDH) and pharmaceutical compositions containing these compounds UNIV PISA 2012-08-15 CN disclosed
WO-2011054525-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITA' DI PISA (IT) 2011-05-12 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 (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-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LDHA, LDHB, DLD LDHA 1/4885DAO 565/4885KDM4E 1327/4885

“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.