SCHEMBL7956

SCHEMBL7956

O=C(O)Cc1cs/c(=N/C(=O)c2cccc(C(=O)O)c2)n1O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 17/20 0.54
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7957 1.00 EGLN1 (0.54) EGLN1RAB9AHSD17B10NPC1ALDH1A1
SCHEMBL7977 0.88 EGLN1 (0.63) EGLN1RAB9AHSD17B10NPC1ALDH1A1
SCHEMBL7976 0.88 EGLN1 (0.63) EGLN1RAB9AHSD17B10NPC1ALDH1A1
SCHEMBL7717 0.87 EGLN1 (0.55) EGLN1RAB9AHSD17B10NPC1ALDH1A1
SCHEMBL7718 0.87 EGLN1 (0.55) EGLN1RAB9AHSD17B10NPC1ALDH1A1
SCHEMBL8497 0.74 EGLN1 (0.66) EGLN1
Isophthalic Acid SCHEMBL28462260 0.63 CA12 (0.71) HSD17B10TP53
Isophthalic Acid SCHEMBL22462 0.63 CA12 (0.71) HSD17B10TP53
Isophthalic Acid SCHEMBL20500514 0.63 CA12 (0.71) HSD17B10TP53
Isophthalic Acid SCHEMBL28756611 0.63 CA12 (0.71) HSD17B10TP53

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 EGLN1 159/4885RAB9A 2969/4885HSD17B10 152/4885

“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.