SCHEMBL25753621

SCHEMBL25753621

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
EGFR P00533 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 1/20 0.32
APLNR P35414 2/20 0.32
LMNA P02545 2/20 0.32
KAT6A Q92794 1/20 0.32
GAA P10253 1/20 0.32
KCNA5 P22460 2/20 0.31
HTT P42858 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL24036886 1.00 MEN1 (0.34) MEN1POLBKMT2AAAK1EGFR
SCHEMBL31089002 0.90 NPSR1 (0.37) KMT2AAAK1ALDH1A1BACE1KAT6A
SCHEMBL25753619 0.87 FDFT1 (0.37) MEN1KMT2AEGFRLMNAHTT
SCHEMBL25752818 0.87 CTSA (0.35) ALDH1A1KDM4ELMNAKAT6AHTT
SCHEMBL24036882 0.87 FDFT1 (0.37) MEN1KMT2AEGFRLMNAHTT
SCHEMBL25753581 0.85 CTSA (0.38) MEN1KMT2AKDM4EHPGD
SCHEMBL24036721 0.85 CTSA (0.38) MEN1KMT2AKDM4EHPGD
SCHEMBL24036537 0.84 EPHX2 (0.35) MEN1POLBKMT2AALDH1A1KDM4E
SCHEMBL25753637 0.84 EPHX2 (0.35) MEN1POLBKMT2AALDH1A1KDM4E
SCHEMBL24036538 0.83 BACE1 (0.36) MEN1POLBKMT2AL3MBTL1BACE1

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 MEN1 431/4885POLB 860/4885KMT2A 359/4885

“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.