SCHEMBL21241696

SCHEMBL21241696

O=C(NC(O)CO)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
MMP2 P08253 1/20 0.56
CA14 Q9ULX7 1/20 0.56
OGG1 O15527 2/20 0.55
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
HTT P42858 1/20 0.43
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL970081 0.83 MMP2 (0.58) CA12MMP2CA14OGG1ALDH1A1
SCHEMBL21639043 0.79 CA2 (0.65) CA12MMP2CA14OGG1ALDH1A1
SCHEMBL21639045 0.79 CA2 (0.65) CA12MMP2CA14OGG1ALDH1A1
SCHEMBL966937 0.77 HTT (0.58) CA12MMP2CA14OGG1ALDH1A1
SCHEMBL966936 0.77 HTT (0.58) CA12MMP2CA14OGG1ALDH1A1
SCHEMBL28463256 0.75 OGG1 (0.52) CA12MMP2CA14OGG1ALDH1A1
SCHEMBL29019437 0.75 TAS1R3 (0.50) CA12MMP2CA14OGG1ALDH1A1
SCHEMBL16680225 0.75 ROCK2 (0.66) CA12MMP2CA14ALDH1A1LMNA
SCHEMBL21663897 0.75 TAS1R3 (0.50) CA12MMP2CA14OGG1ALDH1A1
SCHEMBL16680227 0.75 ROCK2 (0.66) CA12MMP2CA14ALDH1A1LMNA

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-11858927-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-01-02 US disclosed
US-11858927-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-01-02 US disclosed
WO-2019149738-A1 PROTEIN KINASE MKK4 INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2019-08-08 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-11858927-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAP3K4, MAP4K1 CA12 4853/4885MMP2 1026/4885CA14 4518/4885

“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.