SCHEMBL7773

SCHEMBL7773

NC(=O)c1ccc2cc(C(=O)O)n(O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.62
LDHA P00338 4/20 0.58
PLA2G10 O15496 2/20 0.44
MCL1 Q07820 1/20 0.44
LCK P06239 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
BRD4 O60885 1/20 0.42
BRPF1 P55201 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RPS6KA3 P51812 1/20 0.41
CCR2 P41597 1/20 0.40
PLAU P00749 1/20 0.40
ROCK2 O75116 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
KMT2A Q03164 1/20 0.36

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
SCHEMBL7798 0.87 DAO (0.62) DAOLDHAPLA2G10MCL1LCK
SCHEMBL327069 0.82 MCL1 (0.63) DAOPLA2G10MCL1LCKALDH1A1
SCHEMBL14118726 0.80 LDHA (0.54) DAOLDHAMCL1ALDH1A1TSHR
SCHEMBL13306 0.79 LDHA (0.79) DAOLDHAKDM4EHSD17B10CCR2
SCHEMBL7561 0.77 DAO (1.00) DAOLDHAPLA2G10MCL1ALDH1A1
SCHEMBL24457585 0.76 LDHA (0.61) DAOLDHAPLA2G10MCL1ALDH1A1
SCHEMBL8352 0.76 LDHA (0.61) DAOLDHAMCL1ALDH1A1TSHR
SCHEMBL8664 0.76 LDHA (0.61) DAOLDHAPLA2G10MCL1ALDH1A1
SCHEMBL14118310 0.74 LDHA (0.55) DAOLDHAMCL1ALDH1A1TSHR
SCHEMBL8628 0.74 LDHA (0.63) DAOLDHAMCL1ALDH1A1TSHR

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 DAO 565/4885LDHA 1/4885PLA2G10 2144/4885

“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.