SCHEMBL21296884

SCHEMBL21296884

Cc1ccc(Sc2[nH]nnc2C(=O)O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.42
CA9 Q16790 1/20 0.42
HAO1 Q9UJM8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NOTUM Q6P988 1/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
VCAM1 P19320 1/20 0.37
HSP90AA1 P07900 1/20 0.36
LMNA P02545 1/20 0.35
HTR1A P08908 5/20 0.35
HTR3A P46098 5/20 0.35
MAPK1 P28482 1/20 0.35
MAP2K4 P45985 1/20 0.35
MAPKAPK3 Q16644 1/20 0.35
MAPK6 Q16659 1/20 0.35
PIN1 Q13526 1/20 0.34

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
SCHEMBL29799181 1.00 ALPL (0.42) ALPLCA9HAO1KDM4ENOTUM
SCHEMBL21296937 0.83 HAO1 (0.38) CA9HAO1NOTUMSMN1; SMN2ICAM1
SCHEMBL21312724 0.80 ALPL (0.45) ALPLCA9KDM4EMAPK1MAP2K4
SCHEMBL21296965 0.80 SMN1; SMN2 (0.41) ALPLCA9HAO1KDM4ENOTUM
SCHEMBL21312763 0.77 MEN1 (0.42) ALPLCA9KDM4ELMNAMAPK1
SCHEMBL21296949 0.76 ALPL (0.42) ALPLHAO1KDM4EHPGDSMN1; SMN2
SCHEMBL21296901 0.71 HAO1 (0.38) HAO1KDM4ENOTUMSMN1; SMN2
SCHEMBL21296875 0.71 PKM (0.46) ALPLHAO1NOTUMPKMHPGD
SCHEMBL29799229 0.71 PKM (0.46) ALPLHAO1NOTUMPKMHPGD
SCHEMBL29799106 0.71 HAO1 (0.38) HAO1KDM4ENOTUMSMN1; 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 ALPL 576/4885CA9 412/4885HAO1 14/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX ALPL 576/4885CA9 412/4885HAO1 14/4885

“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.