SCHEMBL21296965

SCHEMBL21296965

Cc1ccc(Sc2[nH]nnc2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
ALPL P05186 2/20 0.39
HAO1 Q9UJM8 2/20 0.37
SRD5A2 P31213 1/20 0.37
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
VCAM1 P19320 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOTUM Q6P988 2/20 0.34
P2RY14 Q15391 1/20 0.34
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL21296949 0.96 ALPL (0.42) SMN1; SMN2ALDH1A1GAAALPLHAO1
SCHEMBL21312821 0.88 HAO1 (0.37) SMN1; SMN2ALDH1A1HAO1KDM4EHPGD
SCHEMBL21312823 0.85 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1HAO1KDM4EHPGD
SCHEMBL21312724 0.85 ALPL (0.45) ALDH1A1ALPLKDM4ECA9
SCHEMBL23319917 0.84 RHEB (0.40) ALPLHAO1NOTUM
SCHEMBL21296958 0.84 HAO1 (0.54) ALPLHAO1SRD5A2HSD17B10
SCHEMBL21296917 0.84 RHEB (0.41) SMN1; SMN2ALDH1A1HAO1HPGD
SCHEMBL21296943 0.84 CA1 (0.45) SMN1; SMN2ALDH1A1ALPLHAO1KDM4E
SCHEMBL21312388 0.84 HAO1 (0.38) HAO1
SCHEMBL21296860 0.83 KDM4E (0.38) HAO1KDM4EHPGDNPC1RAB9A

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 SMN1; SMN2 3163/4885ALDH1A1 543/4885GAA 12/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX SMN1; SMN2 3163/4885ALDH1A1 543/4885GAA 12/4885

“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.