SCHEMBL21296937

SCHEMBL21296937

Cc1ccccc1Sc1[nH]nnc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.38
NOTUM Q6P988 1/20 0.36
PIN1 Q13526 1/20 0.35
HTT P42858 1/20 0.35
FFAR1 O14842 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR1A P08908 2/20 0.33
HTR3A P46098 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
REN P00797 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL21296884 0.83 ALPL (0.42) HAO1NOTUMPIN1ICAM1SELE
SCHEMBL21296901 0.82 HAO1 (0.38) HAO1NOTUML3MBTL1ALDH1A1MAPT
SCHEMBL21296875 0.82 PKM (0.46) HAO1NOTUMALDH1A1MAPT
SCHEMBL21296904 0.82 HAO1 (0.42) HAO1HTTMAPTCA12CA1
SCHEMBL21312823 0.80 ALDH1A1 (0.37) HAO1PIN1HTTFFAR1L3MBTL1
SCHEMBL21312715 0.79 MCL1 (0.40) PIN1CA12CA1CA2CA9
SCHEMBL21312770 0.76 HPGD (0.45) ALDH1A1MAPTSMN1; SMN2
SCHEMBL21296965 0.76 SMN1; SMN2 (0.41) HAO1NOTUMICAM1SELEALDH1A1
SCHEMBL21296860 0.75 KDM4E (0.38) HAO1PIN1
SCHEMBL21312821 0.73 HAO1 (0.37) HAO1L3MBTL1ALDH1A1SMN1; SMN2

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 14/4885NOTUM 1065/4885PIN1 2801/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX HAO1 14/4885NOTUM 1065/4885PIN1 2801/4885

“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.