SCHEMBL25753611

SCHEMBL25753611

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA5 P22460 2/20 0.34
BACE1 P56817 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
SCHEMBL24036770 1.00 POLB (0.35) POLBMEN1KMT2AKCNA5BACE1
SCHEMBL25753614 0.93 MEN1 (0.33) POLBMEN1KMT2AKCNA5
SCHEMBL24036782 0.93 MEN1 (0.33) POLBMEN1KMT2AKCNA5
SCHEMBL25752822 0.92 MEN1 (0.32) POLBMEN1KMT2AKCNA5
SCHEMBL30389268 0.92 MEN1 (0.32) POLBMEN1KMT2AKCNA5
SCHEMBL25753606 0.92 MEN1 (0.32) POLBMEN1KMT2AKCNA5
SCHEMBL25622763 0.90 NOTUM (0.42) POLBMEN1KMT2AKCNA5BACE1
SCHEMBL25753544 0.90 NOTUM (0.42) POLBMEN1KMT2AKCNA5BACE1
SCHEMBL24036539 0.89 HTR2C (0.34) POLBMEN1KMT2AKCNA5BACE1
SCHEMBL25753649 0.89 HTR2C (0.34) POLBMEN1KMT2AKCNA5BACE1

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 POLB 860/4885MEN1 431/4885KMT2A 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.