SCHEMBL21296911

SCHEMBL21296911

O=C(O)c1nn[nH]c1Sc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.41
HAO1 Q9UJM8 2/20 0.39
NOTUM Q6P988 1/20 0.38
LRRK2 Q5S007 1/20 0.36
MAPK1 P28482 2/20 0.36
MAP2K4 P45985 2/20 0.36
MAPK6 Q16659 2/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPKAPK5 Q8IW41 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
EPHX2 P34913 1/20 0.35
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
CYP2C8 P10632 1/20 0.34
PTGIR P43119 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
SCHEMBL21312710 0.96 RXRA (0.39) SRD5A2HAO1LRRK2MAPK1MAP2K4
SCHEMBL22772754 0.86 KCNK2 (0.37) HAO1MAPK1
SCHEMBL23319917 0.84 RHEB (0.40) HAO1NOTUM
SCHEMBL21312819 0.82 RHEB (0.46) EPHX2
SCHEMBL22772729 0.82 KIF11 (0.42) HAO1MAPK1
SCHEMBL21312823 0.82 ALDH1A1 (0.37) HAO1MAPK1
SCHEMBL21312821 0.81 HAO1 (0.37) HAO1
SCHEMBL21296965 0.81 SMN1; SMN2 (0.41) SRD5A2HAO1NOTUMICAM1SELE
SCHEMBL21296958 0.81 HAO1 (0.54) SRD5A2HAO1
SCHEMBL21296917 0.81 RHEB (0.41) HAO1

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 SRD5A2 629/4885HAO1 14/4885NOTUM 1065/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX SRD5A2 629/4885HAO1 14/4885NOTUM 1065/4885

“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.