SCHEMBL22795571

SCHEMBL22795571

COc1cc(C=O)cc(-c2ccc(Oc3[nH]nnc3C(=O)O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
RXRA P19793 1/20 0.41
HSD17B1 P14061 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B2 P37059 1/20 0.39
ALPL P05186 1/20 0.39
CA9 Q16790 1/20 0.39
DHODH Q02127 1/20 0.39
HAO1 Q9UJM8 2/20 0.38
MCL1 Q07820 1/20 0.38
ERN1 O75460 2/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAG3 Q9UGI9 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
SCHEMBL21296952 0.90 RXRA (0.51) PRKAG1PRKAA1PRKAB1RXRAALPL
SCHEMBL22795582 0.86 DHODH (0.43) PRKAG1PRKAA1PRKAB1DHODHHAO1
SCHEMBL21296847 0.85 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL21296929 0.82 PIN1 (0.49) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL21296956 0.81 HAO1 (0.52) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL22795588 0.80 ERN1 (0.46) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL21296954 0.80 PRKAG1 (0.50) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL29799086 0.80 PRKAG1 (0.50) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL21296848 0.78 PRKAG1 (0.45) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL21296926 0.78 PIN1 (0.47) PRKAG1PRKAA1PRKAB1RXRACYP1A2

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-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 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-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX PRKAG1 2580/4885PRKAA1 2860/4885PRKAB1 2716/4885

“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.