SCHEMBL25753637

SCHEMBL25753637

COC(=O)C[C@H](N[S+]([O-])C(C)(C)C)c1cc(OC(F)F)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SCN1A P35498 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
ALOX15 P16050 1/20 0.32
GFER P55789 1/20 0.32
ADAM17 P78536 1/20 0.32
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL24036537 1.00 EPHX2 (0.35) EPHX2KDM4EGAAPOLBPKM
SCHEMBL25753654 0.90 BACE1 (0.36) POLBMEN1KMT2AMRGPRX4TP53
SCHEMBL24036538 0.90 BACE1 (0.36) POLBMEN1KMT2AMRGPRX4TP53
SCHEMBL25752834 0.85 PKM (0.39) EPHX2GAAPOLBPKMMAPT
SCHEMBL24036882 0.85 FDFT1 (0.37) MAPTMEN1KMT2AHTTLMNA
SCHEMBL25753690 0.85 PKM (0.39) EPHX2GAAPOLBPKMMAPT
SCHEMBL25753619 0.85 FDFT1 (0.37) MAPTMEN1KMT2AHTTLMNA
SCHEMBL25752818 0.85 CTSA (0.35) KDM4EPKMMAPTALDH1A1HTT
SCHEMBL24036886 0.84 MEN1 (0.34) KDM4EGAAPOLBMEN1KMT2A
SCHEMBL25753621 0.84 MEN1 (0.34) KDM4EGAAPOLBMEN1KMT2A

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 1 patent. 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

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 EPHX2 3021/4885KDM4E 1887/4885GAA 3490/4885

“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.