SCHEMBL21296887

SCHEMBL21296887

CC(C)=Cc1cccc(Oc2[nH]nnc2C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.39
HAO1 Q9UJM8 11/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5AP P20292 1/20 0.36
LMNA P02545 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL29799206 1.00 ALOX5 (0.39) ALOX5HAO1PTGS1PTGS2ATM
SCHEMBL21296947 0.86 UNG (0.42) ALOX5HAO1PTGS1PTGS2MEN1
SCHEMBL21296919 0.86 HAO1 (0.38) HAO1MEN1ALDH1A1KMT2ALMNA
SCHEMBL21296885 0.85 HAO1 (0.39) ALOX5HAO1PTGS1PTGS2
SCHEMBL29799051 0.85 HAO1 (0.39) ALOX5HAO1PTGS1PTGS2
SCHEMBL21296882 0.78 HAO1 (0.44) HAO1ALDH1A1KMT2A
SCHEMBL23319939 0.78 HAO1 (0.41) HAO1KMT2A
SCHEMBL29799085 0.78 HAO1 (0.44) HAO1
SCHEMBL21296859 0.78 HAO1 (0.44) HAO1
SCHEMBL21296931 0.78 PTGS1 (0.45) ALOX5HAO1PTGS1MEN1ALDH1A1

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 ALOX5 139/4885HAO1 14/4885PTGS1 453/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX ALOX5 139/4885HAO1 14/4885PTGS1 453/4885

“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.