SCHEMBL13306

SCHEMBL13306

O=C(O)c1ccc(-c2ccc3cc(C(=O)O)n(O)c3c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 5/20 0.79
DAO P14920 1/20 0.56
CCR2 P41597 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
ERN1 O75460 2/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
GRIK3 Q13003 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL7814 0.89 LDHA (1.00) LDHADAOCCR2
SCHEMBL7300 0.89 LDHA (1.00) LDHADAOCCR2
SCHEMBL8712 0.86 LDHA (0.78) LDHADAOCCR2KDM4ELMNA
SCHEMBL7835 0.86 LDHA (0.77) LDHADAOCCR2KDM4ELMNA
SCHEMBL7582 0.86 LDHA (0.77) LDHADAOCCR2KDM4EHSD17B10
SCHEMBL14118585 0.83 LDHA (0.64) LDHADAOCCR2
SCHEMBL7108 0.83 LDHA (0.82) LDHADAOCCR2
SCHEMBL7574 0.82 LDHA (0.71) LDHADAOCCR2RXRARXRB
SCHEMBL7269 0.82 LDHA (0.71) LDHADAOCCR2KDM4ELMNA
SCHEMBL14118807 0.81 LDHA (0.69) LDHADAOCCR2KDM4E

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 3 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
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 565/4885CCR2 4452/4885

“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.