SCHEMBL8317

SCHEMBL8317

CCCCc1cn(-c2ccc3c(c2)cc(C(=O)O)n3O)nn1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.72
MIF P14174 2/20 0.50
DDX3X O00571 11/20 0.47
JAK2 O60674 3/20 0.45
ROCK2 O75116 3/20 0.45
GSK3B P49841 3/20 0.45
PIM1 P11309 1/20 0.45
AURKB Q96GD4 1/20 0.41

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
SCHEMBL14118941 0.87 LDHA (0.69) LDHADDX3XJAK2ROCK2GSK3B
SCHEMBL8304 0.80 LDHA (0.87) LDHAMIFJAK2ROCK2GSK3B
SCHEMBL7904 0.80 LDHA (0.58) LDHA
SCHEMBL8428 0.78 LDHA (0.84) LDHADDX3XJAK2ROCK2GSK3B
SCHEMBL13224 0.77 LDHA (0.83) LDHAMIFDDX3XJAK2ROCK2
SCHEMBL29828549 0.77 MAOA (0.66) LDHAMIFDDX3X
SCHEMBL14118352 0.77 LDHA (0.63) LDHAMIFDDX3X
SCHEMBL8015 0.76 LDHA (0.69) LDHA
SCHEMBL7923 0.72 LDHA (0.84) LDHA
SCHEMBL27867421 0.71 MIF (0.47) LDHAMIFDDX3X

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 1/4885MIF 880/4885DDX3X 975/4885

“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.