SCHEMBL25753588

SCHEMBL25753588

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.37
AKT1 P31749 5/20 0.37
KCNN4 O15554 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
RPS6KB1 P23443 2/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C1 Q04828 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
WDR5 P61964 1/20 0.33
SCN8A Q9UQD0 1/20 0.32
RORC P51449 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL24036725 1.00 CXCR2 (0.37) CXCR2AKT1KCNN4TRPV1RPS6KB1
SCHEMBL25622818 0.89 AKR1C3 (0.35) ALDH1A1MAPTHTTAKR1C3AKR1C2
SCHEMBL25753591 0.89 AKR1C3 (0.35) ALDH1A1MAPTHTTAKR1C3AKR1C2
SCHEMBL25623348 0.85 APP (0.38) KCNN4
SCHEMBL25753659 0.85 APP (0.38) KCNN4
SCHEMBL25752820 0.83 ADRB2 (0.38) WDR5
SCHEMBL25753597 0.83 ADRB2 (0.38) WDR5
SCHEMBL25752832 0.83 PDE4A (0.34) CXCR2ALDH1A1MAPTHTT
SCHEMBL25753632 0.83 PDE4A (0.34) CXCR2ALDH1A1MAPTHTT
SCHEMBL24036809 0.82 EEF2K (0.45) RORC

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 CXCR2 1259/4885AKT1 1720/4885KCNN4 2255/4885

“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.