SCHEMBL25753597

SCHEMBL25753597

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.38
ADRB1 P08588 1/20 0.38
WDR5 P61964 2/20 0.35
BACE1 P56817 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
SCHEMBL25752820 1.00 ADRB2 (0.38) ADRB2ADRB1WDR5BACE1
SCHEMBL24036725 0.83 CXCR2 (0.37) WDR5
SCHEMBL25753588 0.83 CXCR2 (0.37) WDR5
SCHEMBL24036736 0.81 TACR1 (0.34)
SCHEMBL25753566 0.81 TACR1 (0.34)
SCHEMBL25622767 0.81 TACR1 (0.34)
SCHEMBL25752815 0.81 SLC13A3 (0.35) WDR5
SCHEMBL25753540 0.81 SLC13A3 (0.35) WDR5
SCHEMBL30388831 0.81 SLC13A3 (0.35) WDR5
SCHEMBL25622818 0.81 AKR1C3 (0.35) ADRB2WDR5

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 ADRB2 678/4885ADRB1 765/4885WDR5 2145/4885

“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.