SCHEMBL8304

SCHEMBL8304

O=C(O)CCCc1cn(-c2ccc3cc(C(=O)O)n(O)c3c2)nn1

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.87
MIF P14174 4/20 0.45
NOTUM Q6P988 3/20 0.41
JAK2 O60674 2/20 0.41
ROCK2 O75116 2/20 0.41
GSK3B P49841 2/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
DAO P14920 1/20 0.40
AURKB Q96GD4 1/20 0.39
FOLH1 Q04609 1/20 0.38

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
SCHEMBL13224 0.93 LDHA (0.83) LDHAMIFNOTUMJAK2ROCK2
SCHEMBL8428 0.87 LDHA (0.84) LDHANOTUMJAK2ROCK2GSK3B
SCHEMBL8317 0.80 LDHA (0.72) LDHAMIFJAK2ROCK2GSK3B
SCHEMBL11775 0.80 LDHA (0.72) LDHADAO
SCHEMBL14118941 0.78 LDHA (0.69) LDHANOTUMJAK2ROCK2GSK3B
SCHEMBL7379 0.77 LDHA (0.53) LDHADAO
SCHEMBL14212120 0.77 LDHA (0.70) LDHAMIFNOTUMJAK2ROCK2
SCHEMBL12031 0.74 LDHA (0.80) LDHAMAOAMAOB
SCHEMBL7988 0.72 LDHA (0.70) LDHAMIFGSK3BDAO
SCHEMBL14234296 0.72 LDHA (0.63) LDHAMIFNOTUMJAK2ROCK2

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 880/4885NOTUM 1251/4885

“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.