SCHEMBL21296904

SCHEMBL21296904

COc1ccccc1Sc1[nH]nnc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.42
LRRK2 Q5S007 1/20 0.40
DHFR P00374 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 2/20 0.38
CDK9 P50750 1/20 0.38
DYRK1A Q13627 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38

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
SCHEMBL29799188 1.00 HAO1 (0.42) HAO1LRRK2DHFRPOLBMEN1
SCHEMBL21296937 0.82 HAO1 (0.38) HAO1MAPTHTTCA12CA1
SCHEMBL21296901 0.79 HAO1 (0.38) HAO1POLBMAPT
SCHEMBL29799106 0.79 HAO1 (0.38) HAO1POLBMAPT
SCHEMBL29799229 0.79 PKM (0.46) HAO1MEN1MAPTKMT2ACDK9
SCHEMBL21296875 0.79 PKM (0.46) HAO1MEN1MAPTKMT2ACDK9
SCHEMBL21312823 0.76 ALDH1A1 (0.37) HAO1MEN1MAPTKMT2AHTT
SCHEMBL21296943 0.75 CA1 (0.45) HAO1DHFRMEN1KMT2AHTT
SCHEMBL21312777 0.72 PRKAG1 (0.48) HAO1MEN1MAPTKMT2AHTT
Hydrogen Peroxide SCHEMBL28640288 0.72 CA1 (0.55) HAO1LRRK2DHFRPOLBMEN1

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 14/4885LRRK2 2428/4885DHFR 704/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX HAO1 14/4885LRRK2 2428/4885DHFR 704/4885

“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.