SCHEMBL25753606

SCHEMBL25753606

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
WDR5 P61964 1/20 0.32
KCNA5 P22460 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TNF P01375 1/20 0.30
GPR139 Q6DWJ6 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
SCHEMBL30389268 1.00 MEN1 (0.32) MEN1POLBKMT2AWDR5KCNA5
SCHEMBL25752822 1.00 MEN1 (0.32) MEN1POLBKMT2AWDR5KCNA5
SCHEMBL24036777 0.92 L3MBTL1 (0.37) MEN1KMT2AWDR5L3MBTL1TNF
SCHEMBL25753602 0.92 L3MBTL1 (0.37) MEN1KMT2AWDR5L3MBTL1TNF
SCHEMBL25622879 0.92 L3MBTL1 (0.37) MEN1KMT2AWDR5L3MBTL1TNF
SCHEMBL25753611 0.92 POLB (0.35) MEN1POLBKMT2AKCNA5
SCHEMBL24036770 0.92 POLB (0.35) MEN1POLBKMT2AKCNA5
SCHEMBL31089053 0.90 GPR35 (0.35) MEN1POLBKMT2AL3MBTL1GPR139
SCHEMBL28962092 0.88 ITGB3 (0.36) GPR139
SCHEMBL24036782 0.87 MEN1 (0.33) MEN1POLBKMT2AKCNA5

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 MEN1 431/4885POLB 860/4885KMT2A 359/4885

“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.