SCHEMBL21296918

SCHEMBL21296918

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 13/20 0.41
PTGS1 P23219 1/20 0.39
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL29799236 1.00 HAO1 (0.41) HAO1PTGS1MEN1CYP2D6KMT2A
SCHEMBL29799243 0.86 PTGS1 (0.45) HAO1PTGS1MEN1CYP2D6KMT2A
SCHEMBL21296931 0.86 PTGS1 (0.45) HAO1PTGS1MEN1CYP2D6KMT2A
SCHEMBL29799077 0.85 HAO1 (0.42) HAO1PTGS1MEN1CYP2D6KMT2A
SCHEMBL21296938 0.85 HAO1 (0.42) HAO1PTGS1MEN1CYP2D6KMT2A
SCHEMBL21296877 0.85 HAO1 (0.39) HAO1
SCHEMBL29799129 0.81 ALDH1A1 (0.43) HAO1KMT2A
SCHEMBL21296942 0.81 ALDH1A1 (0.43) HAO1KMT2A
SCHEMBL21296844 0.79 HAO1 (0.43) HAO1
SCHEMBL29799320 0.79 HAO1 (0.43) 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 14/4885PTGS1 453/4885MEN1 3426/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX HAO1 14/4885PTGS1 453/4885MEN1 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.