SCHEMBL4241399

SCHEMBL4241399

O=C(O)C1=C(O)C[C@H](c2ccccc2)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.57
LDHB P07195 1/20 0.53
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
USP2 O75604 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAP1LC3B Q9GZQ8 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
SCHEMBL4237768 1.00 LDHA (0.57) LDHALDHBMEN1KMT2ABRD4
SCHEMBL13744477 0.83 LDHA (0.54) LDHALDHBMEN1KMT2AHTT
SCHEMBL4238503 0.83 LDHA (0.54) LDHALDHBMEN1KMT2AHTT
SCHEMBL13744250 0.83 LDHA (0.54) LDHALDHBMEN1KMT2AHTT
SCHEMBL4380936 0.78 LDHA (0.49) LDHALDHBMEN1KMT2AHTT
SCHEMBL4248057 0.78 LDHA (0.49) LDHALDHBMEN1KMT2AHTT
SCHEMBL4384687 0.78 LDHA (0.49) LDHALDHBMEN1KMT2AHTT
SCHEMBL4242831 0.77 LDHA (0.48) LDHALDHBMEN1KMT2AHTT
SCHEMBL4566900 0.77 LDHA (0.48) LDHALDHBMEN1KMT2AHTT
SCHEMBL13743520 0.77 LDHA (0.48) LDHALDHBMEN1KMT2AALOX15

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 LDHA 3026/4885LDHB 2683/4885MEN1 2345/4885

“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.