SCHEMBL21296877

SCHEMBL21296877

CCC(CC)c1ccc(Oc2[nH]nnc2C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 15/20 0.39
CASP1 P29466 1/20 0.37
FFAR1 O14842 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL21296922 0.86 NPBWR1 (0.38) HDAC8HDAC6ALDH1A1
SCHEMBL29799236 0.85 HAO1 (0.41) HAO1
SCHEMBL21296918 0.85 HAO1 (0.41) HAO1
SCHEMBL21296983 0.85 HAO1 (0.41) HAO1ALDH1A1
SCHEMBL21296897 0.84 HAO1 (0.41) HAO1FFAR1ALDH1A1TSHR
SCHEMBL21296966 0.82 ALPL (0.43) HAO1ALDH1A1
SCHEMBL21312436 0.82 ALPL (0.49) HAO1ALDH1A1
SCHEMBL23319926 0.82 HAO1 (0.39) HAO1
SCHEMBL21296956 0.80 HAO1 (0.52) HAO1
SCHEMBL21312442 0.80 GAA (0.45) HAO1

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 14/4885CASP1 2598/4885FFAR1 3028/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX HAO1 14/4885CASP1 2598/4885FFAR1 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.