SCHEMBL25752834

SCHEMBL25752834

COC(=O)C[C@H](N[S@+]([O-])C(C)(C)C)c1ccc(OC(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
EPHX2 P34913 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
ADAM17 P78536 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.35
PDE2A O00408 2/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33

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
SCHEMBL25753690 1.00 PKM (0.39) PKMEPHX2L3MBTL1ALOX15GFER
SCHEMBL25753665 0.88 KDM4E (0.38) PKMEPHX2L3MBTL1MAPTHTT
SCHEMBL24036741 0.88 KDM4E (0.38) PKMEPHX2L3MBTL1MAPTHTT
SCHEMBL25753641 0.88 EPHX2 (0.32) PKMEPHX2MAPTHTTALDH1A1
SCHEMBL24036536 0.88 EPHX2 (0.32) PKMEPHX2MAPTHTTALDH1A1
SCHEMBL25753632 0.85 PDE4A (0.34) MAPTHTTALDH1A1PDE2AMEN1
SCHEMBL25752832 0.85 PDE4A (0.34) MAPTHTTALDH1A1PDE2AMEN1
SCHEMBL24036537 0.85 EPHX2 (0.35) PKMEPHX2ALOX15GFERADAM17
SCHEMBL25753637 0.85 EPHX2 (0.35) PKMEPHX2ALOX15GFERADAM17
SCHEMBL24036884 0.83 BACE1 (0.31) EPHX2MEN1KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US 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 (1 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 PKM 3234/4885EPHX2 3021/4885L3MBTL1 2036/4885

“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.