SCHEMBL25753616

SCHEMBL25753616

COC(=O)C[C@H](N[S+]([O-])C(C)(C)C)c1cc(C)cc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TNF P01375 1/20 0.31
PHGDH O43175 1/20 0.31
CTSA P10619 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KCNA5 P22460 1/20 0.30

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
SCHEMBL24036777 0.93 L3MBTL1 (0.37) WDR5L3MBTL1TNFALDH1A1GAA
SCHEMBL25622879 0.93 L3MBTL1 (0.37) WDR5L3MBTL1TNFALDH1A1GAA
SCHEMBL25753602 0.93 L3MBTL1 (0.37) WDR5L3MBTL1TNFALDH1A1GAA
SCHEMBL28066994 0.91 CNR1 (0.33) ALDH1A1MAPTKCNA5
SCHEMBL24036879 0.88 WDR5 (0.32) WDR5L3MBTL1TNFALDH1A1GAA
SCHEMBL25753606 0.87 MEN1 (0.32) WDR5L3MBTL1TNFKCNA5
SCHEMBL25752822 0.87 MEN1 (0.32) WDR5L3MBTL1TNFKCNA5
SCHEMBL30389268 0.87 MEN1 (0.32) WDR5L3MBTL1TNFKCNA5
SCHEMBL30388831 0.85 SLC13A3 (0.35) WDR5CTSAMAPT
SCHEMBL25753540 0.85 SLC13A3 (0.35) WDR5CTSAMAPT

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 WDR5 2145/4885L3MBTL1 2036/4885TNF 4836/4885

“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.