SCHEMBL21296988

SCHEMBL21296988

COc1ccc(Cn2nnc(C(=O)O)c2Oc2cccc(C=O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AKR1C3 P42330 7/20 0.48
HCAR3 P49019 1/20 0.45
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
ACP1 P24666 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL28047000 0.90 AKR1C3 (0.55) AKR1C3HCAR3ALOX15L3MBTL1MAPT
SCHEMBL29799202 0.89 CYP19A1 (0.45) NPC1RAB9ATDP1AKR1C3ALOX15
SCHEMBL21296982 0.89 CYP19A1 (0.45) NPC1RAB9ATDP1AKR1C3ALOX15
SCHEMBL21296984 0.86 AKR1C3 (0.49) AKR1C3HCAR3ALOX15L3MBTL1MAPT
SCHEMBL22815682 0.83 AKR1C3 (0.47) AKR1C3HCAR3ALOX15L3MBTL1MAPT
SCHEMBL29891535 0.83 AKR1C3 (0.47) AKR1C3HCAR3ALOX15L3MBTL1MAPT
SCHEMBL22816536 0.82 AKR1C3 (0.47) AKR1C3HCAR3ALOX15L3MBTL1MAPT
SCHEMBL22815906 0.82 ALOX15 (0.47) AKR1C3ALOX15L3MBTL1MAPTPOLB
SCHEMBL21296968 0.82 AKR1C3 (0.46) AKR1C3HCAR3ALOX15L3MBTL1MAPT
SCHEMBL21296920 0.81 NPBWR1 (0.51) AKR1C3ALOX15L3MBTL1MAPTPOLB

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 3 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
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 NPC1 1529/4885RAB9A 2533/4885TDP1 1110/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX NPC1 1529/4885RAB9A 2533/4885TDP1 1110/4885

“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.