SCHEMBL8103

SCHEMBL8103

O=C(O)c1cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.66
AURKA O14965 1/20 0.48
TPX2 Q9ULW0 1/20 0.48
DAO P14920 1/20 0.47
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
NTRK1 P04629 3/20 0.44
SERPINE1 P05121 2/20 0.43
SCN5A Q14524 1/20 0.41
DHODH Q02127 2/20 0.41
PTGER4 P35408 1/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G5 P39877 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
SCHEMBL7449 0.89 LDHA (0.65) LDHADAOSERPINE1DHODHPLA2G2A
SCHEMBL7269 0.82 LDHA (0.71) LDHADAO
SCHEMBL7574 0.82 LDHA (0.71) LDHADAODHODH
SCHEMBL7582 0.80 LDHA (0.77) LDHADAOSERPINE1
SCHEMBL16240438 0.80 LDHA (0.73) LDHAAURKATPX2AKR1C2AKR1C1
SCHEMBL7300 0.80 LDHA (1.00) LDHADAO
SCHEMBL7814 0.80 LDHA (1.00) LDHADAO
SCHEMBL13306 0.79 LDHA (0.79) LDHADAO
SCHEMBL7108 0.77 LDHA (0.82) LDHADAO
SCHEMBL7835 0.77 LDHA (0.77) LDHADAO

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 6 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 claimed
US-9750761-B2 LDH inhibitors as treatment for fibrosis and fibrotic-related disorders UNIVERSITY OF ROCHESTER (US) 2017-09-05 US disclosed
US-20150335674-A1 LDH INHIBITORS AS TREATMENT FOR FIBROSIS AND FIBROTIC-RELATED DISORDERS UNIVERSITY OF ROCHESTER (US) 2015-11-26 US disclosed
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 (2 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 1/4885AURKA 887/4885TPX2 1331/4885
US-20150335674-A1 LDH INHIBITORS AS TREATMENT FOR FIBROSIS AND FIBROTIC-RELATED DISORDERS LDHA, LDHB, ALDH1A2 LDHA 1/4885AURKA 2595/4885TPX2 1281/4885

“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.