SCHEMBL21241695

SCHEMBL21241695

CC1(C)OB(c2ccc(C(=O)NC(O)CO)cc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
CA9 Q16790 6/20 0.49
CXCR2 P25025 1/20 0.41
P4HB P07237 1/20 0.41
LIPG Q9Y5X9 8/20 0.41
LPL P06858 7/20 0.41
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
F11 P03951 2/20 0.40
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38

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
SCHEMBL15739649 0.82 CA1 (0.53) CA1CA2CA9CXCR2P4HB
SCHEMBL21600696 0.81 CA1 (0.53) CA1CA2CA9CXCR2P4HB
SCHEMBL16680040 0.81 ROCK2 (0.54) CA1CA2CA9P4HBLIPG
SCHEMBL16680042 0.81 ROCK2 (0.54) CA1CA2CA9P4HBLIPG
SCHEMBL1128752 0.79 CA1 (0.59) CA1CA2CA9P4HBLIPG
SCHEMBL29135789 0.79 CA1 (0.50) CA1CA2CA9CXCR2P4HB
SCHEMBL26035449 0.78 CA1 (0.53) CA1CA2CA9CXCR2P4HB
SCHEMBL16897972 0.77 CA2 (0.52) CA1CA2CA9CXCR2P4HB
SCHEMBL419695 0.77 CA2 (0.57) CA1CA2CA9P4HBLIPG
SCHEMBL15648726 0.77 CA1 (0.61) CA1CA2CA9CXCR2P4HB

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 4 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
US-20210078995-A1 PROTEIN KINASE MKK4 INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2021-03-18 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 (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-20210078995-A1 PROTEIN KINASE MKK4 INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH MAPK4, MAP3K4, MAP4K1 CA1 3490/4885CA2 4640/4885CA9 4729/4885
US-11858927-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAP3K4, MAP4K1 CA1 3490/4885CA2 4640/4885CA9 4729/4885

“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.