SCHEMBL25753544

SCHEMBL25753544

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
ACP1 P24666 1/20 0.33
RORC P51449 1/20 0.33
BACE1 P56817 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
DDR1 Q08345 1/20 0.31
CETP P11597 1/20 0.31
ADRB2 P07550 2/20 0.31
KCNA5 P22460 2/20 0.31
ITGB3 P05106 2/20 0.30
ITGB1 P05556 2/20 0.30
ITGAV P06756 2/20 0.30
ITGA5 P08648 2/20 0.30
ITGB5 P18084 2/20 0.30
ITGB6 P18564 2/20 0.30
ITGB8 P26012 2/20 0.30
ITGA8 P53708 2/20 0.30
EEF2K O00418 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
SCHEMBL25622763 1.00 NOTUM (0.42) NOTUMACP1RORCBACE1MEN1
SCHEMBL25622767 0.92 TACR1 (0.34) NOTUMCETPEEF2K
SCHEMBL25753566 0.92 TACR1 (0.34) NOTUMCETPEEF2K
SCHEMBL24036736 0.92 TACR1 (0.34) NOTUMCETPEEF2K
SCHEMBL31088755 0.90 NOTUM (0.40) NOTUMACP1BACE1POLBDDR1
SCHEMBL24036770 0.90 POLB (0.35) BACE1MEN1POLBKMT2AKCNA5
SCHEMBL25753611 0.90 POLB (0.35) BACE1MEN1POLBKMT2AKCNA5
SCHEMBL24036737 0.88 CXCR2 (0.36) NOTUMEEF2KTAS2R14
SCHEMBL24036735 0.88 CETP (0.32) NOTUMCETPEEF2K
SCHEMBL24036739 0.88 CXCR2 (0.36) CETPITGB3ITGB1ITGAVITGA5

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 NOTUM 4230/4885ACP1 3590/4885RORC 2489/4885

“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.