SCHEMBL21312437

SCHEMBL21312437

O=C(O)c1nn[nH]c1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
FAAH O00519 1/20 0.44
AURKA O14965 1/20 0.42
TPX2 Q9ULW0 1/20 0.42
HAO1 Q9UJM8 4/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
GRK6 P43250 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DHODH Q02127 1/20 0.38
NOTUM Q6P988 1/20 0.37

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
SCHEMBL21312601 0.96 AURKA (0.48) EPHX2FAAHAURKATPX2HAO1
SCHEMBL21312461 0.86 HAO1 (0.41) HAO1KMT2ARAB9A
SCHEMBL23319896 0.84 HAO1 (0.52) HAO1
SCHEMBL21312328 0.83 MRGPRX4 (0.46) AURKATPX2
SCHEMBL23319972 0.82 HAO1 (0.51) HAO1
SCHEMBL21312598 0.82 KIF11 (0.44) HAO1DHODH
SCHEMBL22772686 0.82 HAO1 (0.39) HAO1
SCHEMBL21296882 0.82 HAO1 (0.44) HAO1KMT2A
SCHEMBL21312458 0.81 MCL1 (0.43) HAO1
SCHEMBL21312442 0.81 GAA (0.45) HAO1KMT2AGAA

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 4 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

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 EPHX2 463/4885FAAH 1039/4885AURKA 4742/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX EPHX2 463/4885FAAH 1039/4885AURKA 4742/4885

“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.