SCHEMBL25752832

SCHEMBL25752832

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CXCR2 P25025 1/20 0.32
PDE2A O00408 2/20 0.32
TNF P01375 4/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.30
CTSA P10619 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
SCHEMBL25753632 1.00 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL25623202 0.88 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL25753659 0.87 APP (0.38) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL25623348 0.87 APP (0.38) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL25753690 0.85 PKM (0.39) ALDH1A1MAPTHTTPDE2AMEN1
SCHEMBL25752834 0.85 PKM (0.39) ALDH1A1MAPTHTTPDE2AMEN1
SCHEMBL24036741 0.84 KDM4E (0.38) MAPTHTTMEN1KMT2APOLB
SCHEMBL25753665 0.84 KDM4E (0.38) MAPTHTTMEN1KMT2APOLB
SCHEMBL24036537 0.83 EPHX2 (0.35) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL24036725 0.83 CXCR2 (0.37) ALDH1A1MAPTHTTCXCR2

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 2 patents. 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
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 PDE4A 3075/4885PDE4B 3176/4885PDE4C 3166/4885

“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.