SCHEMBL21296929

SCHEMBL21296929

COc1cccc(-c2ccc(Oc3[nH]nnc3C(=O)O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.49
HAO1 Q9UJM8 2/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
XDH P47989 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
DHODH Q02127 1/20 0.46
STIM1 Q13586 1/20 0.45
ORAI1 Q96D31 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DYRK3 O43781 1/20 0.44
CDK9 P50750 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
PLK1 P53350 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL21296954 0.95 PRKAG1 (0.50) PIN1HAO1PRKAG1PRKAA1PRKAB1
SCHEMBL29799086 0.95 PRKAG1 (0.50) PIN1HAO1PRKAG1PRKAA1PRKAB1
SCHEMBL29799092 0.89 PIN1 (0.47) PIN1HAO1PRKAG1PRKAA1PRKAB1
SCHEMBL21296926 0.89 PIN1 (0.47) PIN1HAO1PRKAG1PRKAA1PRKAB1
SCHEMBL21296952 0.89 RXRA (0.51) PIN1HAO1PRKAG1PRKAA1PRKAB1
SCHEMBL21296847 0.89 PRKAG1 (0.51) HAO1PRKAG1PRKAA1PRKAB1XDH
SCHEMBL21296859 0.87 HAO1 (0.44) PIN1HAO1FFAR1FFAR4DHODH
SCHEMBL29799085 0.87 HAO1 (0.44) PIN1HAO1FFAR1FFAR4DHODH
SCHEMBL21296953 0.87 FFAR4 (0.47) PIN1HAO1XDHFFAR4DHODH
SCHEMBL29799187 0.87 FFAR4 (0.47) PIN1HAO1XDHFFAR4DHODH

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 PIN1 2801/4885HAO1 14/4885PRKAG1 2580/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX PIN1 2801/4885HAO1 14/4885PRKAG1 2580/4885

“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.