SCHEMBL25753602

SCHEMBL25753602

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
WDR5 P61964 1/20 0.34
TNF P01375 2/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRN P28799 5/20 0.32
SORT1 Q99523 5/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.32
ROCK2 O75116 1/20 0.31
RPS6KA5 O75582 1/20 0.31
MAP4K4 O95819 1/20 0.31
PRKACA P17612 1/20 0.31
RPS6KB1 P23443 1/20 0.31
MAPK1 P28482 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
SCHEMBL25622879 1.00 L3MBTL1 (0.37) L3MBTL1WDR5TNFMAPTALDH1A1
SCHEMBL24036777 1.00 L3MBTL1 (0.37) L3MBTL1WDR5TNFMAPTALDH1A1
SCHEMBL25753616 0.93 WDR5 (0.32) L3MBTL1WDR5TNFMAPTALDH1A1
SCHEMBL24036879 0.93 WDR5 (0.32) L3MBTL1WDR5TNFMAPTALDH1A1
SCHEMBL30389268 0.92 MEN1 (0.32) L3MBTL1WDR5TNFMEN1KMT2A
SCHEMBL25753606 0.92 MEN1 (0.32) L3MBTL1WDR5TNFMEN1KMT2A
SCHEMBL25752822 0.92 MEN1 (0.32) L3MBTL1WDR5TNFMEN1KMT2A
SCHEMBL30388831 0.90 SLC13A3 (0.35) WDR5MAPTGRNSORT1MAPK1
SCHEMBL25752815 0.90 SLC13A3 (0.35) WDR5MAPTGRNSORT1MAPK1
SCHEMBL25753540 0.90 SLC13A3 (0.35) WDR5MAPTGRNSORT1MAPK1

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 L3MBTL1 2036/4885WDR5 2145/4885TNF 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.