SCHEMBL21296859

SCHEMBL21296859

O=C(O)c1nn[nH]c1Oc1cccc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 6/20 0.44
P2RX3 P56373 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
DHODH Q02127 1/20 0.41
PIN1 Q13526 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
AKR1C3 P42330 1/20 0.40
FABP7 O15540 1/20 0.39
FABP3 P05413 1/20 0.39
FABP5 Q01469 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
SCHEMBL29799085 1.00 HAO1 (0.44) HAO1P2RX3FFAR1FFAR4DHODH
SCHEMBL21296851 0.92 HAO1 (0.46) HAO1P2RX3PIN1RXRARXRB
SCHEMBL29799040 0.92 HAO1 (0.46) HAO1P2RX3PIN1RXRARXRB
SCHEMBL21296868 0.91 CA12 (0.46) HAO1P2RX3FFAR1FFAR4DHODH
SCHEMBL21296979 0.91 HAO1 (0.47) HAO1FFAR1FFAR4RXRARXRB
SCHEMBL29799187 0.91 FFAR4 (0.47) HAO1P2RX3FFAR4DHODHPIN1
SCHEMBL29799100 0.91 CA12 (0.46) HAO1P2RX3FFAR1FFAR4DHODH
SCHEMBL21296953 0.91 FFAR4 (0.47) HAO1P2RX3FFAR4DHODHPIN1
SCHEMBL29799238 0.91 HAO1 (0.47) HAO1FFAR1FFAR4RXRARXRB
SCHEMBL21296954 0.90 PRKAG1 (0.50) HAO1FFAR1FFAR4DHODHPIN1

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 HAO1 14/4885P2RX3 1660/4885FFAR1 3028/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX HAO1 14/4885P2RX3 1660/4885FFAR1 3028/4885

“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.