SCHEMBL25753654

SCHEMBL25753654

COC(=O)C[C@H](N[S+]([O-])C(C)(C)C)c1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
FFAR4 Q5NUL3 8/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 3/20 0.34
APP P05067 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE2A O00408 2/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 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
SCHEMBL24036538 1.00 BACE1 (0.36) BACE1MRGPRX4FFAR4L3MBTL1FFAR1
SCHEMBL25753637 0.90 EPHX2 (0.35) MRGPRX4SMN1; SMN2MEN1KMT2APOLB
SCHEMBL24036537 0.90 EPHX2 (0.35) MRGPRX4SMN1; SMN2MEN1KMT2APOLB
SCHEMBL25753581 0.84 CTSA (0.38) MEN1KMT2APDE2AHPGD
SCHEMBL24036721 0.84 CTSA (0.38) MEN1KMT2APDE2AHPGD
SCHEMBL24036882 0.84 FDFT1 (0.37) SMN1; SMN2MEN1KMT2A
SCHEMBL25753619 0.84 FDFT1 (0.37) SMN1; SMN2MEN1KMT2A
SCHEMBL25752818 0.84 CTSA (0.35) SMN1; SMN2
SCHEMBL25623352 0.83 GPR139 (0.40) MRGPRX4GPR139PDE2A
SCHEMBL24036886 0.83 MEN1 (0.34) BACE1L3MBTL1MEN1KMT2APOLB

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 BACE1 3067/4885MRGPRX4 2081/4885FFAR4 2545/4885

“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.