SCHEMBL7449

SCHEMBL7449

O=C(O)c1cc2ccc(-c3cccc(OC(F)(F)F)c3)cc2n1O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 5/20 0.65
DHODH Q02127 7/20 0.47
DAO P14920 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
SERPINE1 P05121 1/20 0.44
SLC13A5 Q86YT5 1/20 0.44
RORC P51449 1/20 0.43
SLC6A7 Q99884 1/20 0.42
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
MGLL Q99685 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
SCHEMBL8103 0.89 LDHA (0.66) LDHADHODHDAOSERPINE1PLA2G2A
SCHEMBL16240015 0.81 LDHA (0.72) LDHADHODHFFAR1FFAR4SERPINE1
SCHEMBL7814 0.80 LDHA (1.00) LDHADAO
SCHEMBL7300 0.80 LDHA (1.00) LDHADAO
SCHEMBL8712 0.78 LDHA (0.78) LDHADAOPLA2G10
SCHEMBL7108 0.77 LDHA (0.82) LDHADAO
SCHEMBL7574 0.77 LDHA (0.71) LDHADHODHDAORORC
SCHEMBL505417 0.74 RXRA (0.61) DHODHFFAR1FFAR4SLC13A5SLC6A7
SCHEMBL29784241 0.74 RXRA (0.61) DHODHFFAR1FFAR4SLC13A5SLC6A7
SCHEMBL7582 0.74 LDHA (0.77) LDHADAOSERPINE1RORC

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 8 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
EP-2499114-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Universita Di Pisa (IT) 2012-09-19 EP claimed
WO-2011054525-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITA' DI PISA (IT) 2011-05-12 WO 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 1/4885DHODH 36/4885DAO 565/4885
US-20150335674-A1 LDH INHIBITORS AS TREATMENT FOR FIBROSIS AND FIBROTIC-RELATED DISORDERS LDHA, LDHB, ALDH1A2 LDHA 1/4885DHODH 193/4885DAO 532/4885

“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.