SCHEMBL21296938

SCHEMBL21296938

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 9/20 0.42
PTGS1 P23219 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALOX5 P09917 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
SCHEMBL29799077 1.00 HAO1 (0.42) HAO1PTGS1ALDH1A1LMNASMN1; SMN2
SCHEMBL21296897 0.86 HAO1 (0.41) HAO1ALDH1A1MEN1KMT2A
SCHEMBL21296931 0.86 PTGS1 (0.45) HAO1PTGS1ALDH1A1LMNASMN1; SMN2
SCHEMBL29799243 0.86 PTGS1 (0.45) HAO1PTGS1ALDH1A1LMNASMN1; SMN2
SCHEMBL21296918 0.85 HAO1 (0.41) HAO1PTGS1MEN1CYP2D6KMT2A
SCHEMBL29799236 0.85 HAO1 (0.41) HAO1PTGS1MEN1CYP2D6KMT2A
SCHEMBL29799129 0.79 ALDH1A1 (0.43) HAO1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL21296942 0.79 ALDH1A1 (0.43) HAO1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL21296844 0.78 HAO1 (0.43) HAO1
SCHEMBL29799320 0.78 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 453/4885ALDH1A1 543/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX HAO1 14/4885PTGS1 453/4885ALDH1A1 543/4885

“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.