SCHEMBL21296868

SCHEMBL21296868

O=C(O)c1nn[nH]c1Oc1cccc(-c2ccc3ccccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
ACMSD Q8TDX5 1/20 0.41
GRK6 P43250 1/20 0.41
HAO1 Q9UJM8 2/20 0.40
P2RX3 P56373 1/20 0.40
ALPL P05186 1/20 0.40
SIRT2 Q8IXJ6 4/20 0.40
DHODH Q02127 1/20 0.40
PIN1 Q13526 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
CTRC Q99895 1/20 0.39
MIF P14174 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PLAU P00749 1/20 0.37

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
SCHEMBL29799100 1.00 CA12 (0.46) CA12ACMSDGRK6HAO1P2RX3
SCHEMBL29799085 0.91 HAO1 (0.44) HAO1P2RX3DHODHPIN1FFAR1
SCHEMBL21296859 0.91 HAO1 (0.44) HAO1P2RX3DHODHPIN1FFAR1
SCHEMBL29799213 0.90 CA12 (0.48) CA12ACMSDGRK6HAO1ALPL
SCHEMBL21296909 0.90 CA12 (0.48) CA12ACMSDGRK6HAO1ALPL
SCHEMBL21296892 0.87 KMT2A (0.43) CA12HAO1ALPLSIRT2MIF
SCHEMBL29799273 0.87 KMT2A (0.43) CA12HAO1ALPLSIRT2MIF
SCHEMBL22795536 0.87 MIF (0.36) CA12ACMSDGRK6HAO1P2RX3
SCHEMBL21296953 0.85 FFAR4 (0.47) HAO1P2RX3ALPLDHODHPIN1
SCHEMBL21296979 0.85 HAO1 (0.47) CA12HAO1ALPLCTRCFFAR1

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 CA12 843/4885ACMSD 846/4885GRK6 1532/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX CA12 843/4885ACMSD 846/4885GRK6 1532/4885

“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.