SCHEMBL7923

SCHEMBL7923

O=C(O)c1cccc(-c2cn(-c3ccc4c(c3)cc(C(=O)O)n4O)nn2)c1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 5/20 0.84
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
STIM1 Q13586 11/20 0.54
ORAI1 Q96D31 11/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
TRPC1 P48995 2/20 0.44
TRPC3 Q13507 2/20 0.44
STIM2 Q9P246 1/20 0.44

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
SCHEMBL8015 0.91 LDHA (0.69) LDHAKEAP1NFE2L2STIM1ORAI1
SCHEMBL12031 0.80 LDHA (0.80) LDHASTIM1ORAI1MAOAMAOB
SCHEMBL7734 0.79 LDHA (1.00) LDHAKEAP1NFE2L2STIM1ORAI1
SCHEMBL7904 0.79 LDHA (0.58) LDHA
SCHEMBL26628304 0.79 STIM1 (0.76) LDHAKEAP1NFE2L2STIM1ORAI1
SCHEMBL29946192 0.79 STIM1 (0.76) LDHAKEAP1NFE2L2STIM1ORAI1
SCHEMBL7864 0.78 LDHA (0.78) LDHAKEAP1
SCHEMBL29946232 0.77 STIM1 (0.66) LDHAKEAP1NFE2L2STIM1ORAI1
SCHEMBL26803794 0.77 STIM1 (0.69) LDHAKEAP1NFE2L2STIM1ORAI1
SCHEMBL26628324 0.77 STIM1 (0.66) LDHAKEAP1NFE2L2STIM1ORAI1

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 1/4885KEAP1 765/4885NFE2L2 1425/4885
US-20150335674-A1 LDH INHIBITORS AS TREATMENT FOR FIBROSIS AND FIBROTIC-RELATED DISORDERS LDHA, LDHB, ALDH1A2 LDHA 1/4885KEAP1 613/4885NFE2L2 1199/4885

“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.