SCHEMBL25753631

SCHEMBL25753631

COC(=O)C[C@H](N[S+]([O-])C(C)(C)C)c1cc(Br)cc(OC(F)F)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
EPHX2 P34913 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
SCHEMBL25623016 1.00 BACE1 (0.31) BACE1MEN1POLBKMT2AEPHX2
SCHEMBL24036884 1.00 BACE1 (0.31) BACE1MEN1POLBKMT2AEPHX2
SCHEMBL25753641 0.92 EPHX2 (0.32) EPHX2
SCHEMBL24036536 0.92 EPHX2 (0.32) EPHX2
SCHEMBL25753649 0.88 HTR2C (0.34) BACE1MEN1POLBKMT2A
SCHEMBL24036539 0.88 HTR2C (0.34) BACE1MEN1POLBKMT2A
SCHEMBL24036770 0.88 POLB (0.35) BACE1MEN1POLBKMT2A
SCHEMBL25753611 0.88 POLB (0.35) BACE1MEN1POLBKMT2A
SCHEMBL24036896 0.87 MEN1 (0.32) MEN1KMT2AEPHX2
SCHEMBL25753629 0.87 MEN1 (0.32) MEN1KMT2AEPHX2

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 3067/4885MEN1 431/4885POLB 860/4885

“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.