SCHEMBL21296931

SCHEMBL21296931

CC(C)c1cccc(Oc2[nH]nnc2C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
HAO1 Q9UJM8 9/20 0.43
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CASP1 P29466 1/20 0.39
EIF4A3 P38919 1/20 0.38
PPARG P37231 1/20 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
SCHEMBL29799243 1.00 PTGS1 (0.45) PTGS1HAO1MEN1CYP2D6KMT2A
SCHEMBL24154727 0.87 RXRA (0.52) HAO1LMNARXRARXRBRXRG
SCHEMBL24154725 0.87 RXRA (0.44) HAO1RXRARXRBRXRG
SCHEMBL21296918 0.86 HAO1 (0.41) PTGS1HAO1MEN1CYP2D6KMT2A
SCHEMBL29799236 0.86 HAO1 (0.41) PTGS1HAO1MEN1CYP2D6KMT2A
SCHEMBL21296938 0.86 HAO1 (0.42) PTGS1HAO1MEN1CYP2D6KMT2A
SCHEMBL29799077 0.86 HAO1 (0.42) PTGS1HAO1MEN1CYP2D6KMT2A
SCHEMBL21296983 0.84 HAO1 (0.41) HAO1MEN1KMT2AKDM4EALDH1A1
SCHEMBL21296844 0.81 HAO1 (0.43) HAO1PPARG
SCHEMBL29799320 0.81 HAO1 (0.43) HAO1PPARG

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 PTGS1 453/4885HAO1 14/4885MEN1 3426/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX PTGS1 453/4885HAO1 14/4885MEN1 3426/4885

“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.