SCHEMBL21296952

SCHEMBL21296952

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
PRKAG1 P54619 2/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
ALPL P05186 2/20 0.45
CA9 Q16790 1/20 0.45
HAO1 Q9UJM8 3/20 0.43
MCL1 Q07820 2/20 0.43
ABL1 P00519 3/20 0.42
ABCB1 P08183 3/20 0.42
BCR P11274 3/20 0.42
PRKAB2 O43741 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL21296847 0.92 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL22795571 0.90 PRKAG1 (0.41) RXRAPRKAG1PRKAA1PRKAB1ALPL
SCHEMBL21296929 0.89 PIN1 (0.49) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL21296956 0.88 HAO1 (0.52) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL21296926 0.88 PIN1 (0.47) RXRAPRKAG1PRKAA1PRKAB1HAO1
SCHEMBL29799092 0.88 PIN1 (0.47) RXRAPRKAG1PRKAA1PRKAB1HAO1
SCHEMBL29799086 0.86 PRKAG1 (0.50) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL21296954 0.86 PRKAG1 (0.50) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL21296848 0.85 PRKAG1 (0.45) PRKAG1PRKAA1PRKAB1ALPLCA9
SCHEMBL25465250 0.85 PRKAG1 (0.39) PRKAG1PRKAA1PRKAB1ALPLCA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11389456-B2 Compounds and methods for treating oxalate-related diseases OXALURX, INC. (US) 2022-07-19 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 WO disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 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-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX RXRA 1818/4885PRKAG1 2580/4885PRKAA1 2860/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX RXRA 1818/4885PRKAG1 2580/4885PRKAA1 2860/4885

“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.