SCHEMBL25753659

SCHEMBL25753659

COC(=O)C[C@H](N[S+]([O-])C(C)(C)C)c1ccc(F)c(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.38
KCNN4 O15554 2/20 0.38
PDE2A O00408 11/20 0.37
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL25623348 1.00 APP (0.38) APPKCNN4PDE2APDE4APDE4B
SCHEMBL25753632 0.87 PDE4A (0.34) PDE2APDE4APDE4BPDE4CPDE4D
SCHEMBL25752832 0.87 PDE4A (0.34) PDE2APDE4APDE4BPDE4CPDE4D
SCHEMBL24036725 0.85 CXCR2 (0.37) KCNN4
SCHEMBL25753588 0.85 CXCR2 (0.37) KCNN4
SCHEMBL25623352 0.83 GPR139 (0.40) PDE2A
SCHEMBL25753654 0.82 BACE1 (0.36) APPPDE2A
SCHEMBL24036538 0.82 BACE1 (0.36) APPPDE2A
SCHEMBL25623203 0.80 DDR1 (0.36) APPPDE2A
SCHEMBL25753645 0.80 DDR1 (0.36) APPPDE2A

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 APP 4211/4885KCNN4 2255/4885PDE2A 2400/4885

“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.