SCHEMBL25753649

SCHEMBL25753649

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGB5 P18084 1/20 0.33
ITGB6 P18564 1/20 0.33
ITGB8 P26012 1/20 0.33
ITGA8 P53708 1/20 0.33
WDR5 P61964 2/20 0.32
APP P05067 1/20 0.32
NOTUM Q6P988 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL24036539 1.00 HTR2C (0.34) HTR2CITGB3ITGB1ITGAVITGA5
SCHEMBL25753611 0.89 POLB (0.35) MEN1POLBKMT2ABACE1KCNA5
SCHEMBL24036770 0.89 POLB (0.35) MEN1POLBKMT2ABACE1KCNA5
SCHEMBL25753631 0.88 BACE1 (0.31) MEN1POLBKMT2ABACE1
SCHEMBL25623016 0.88 BACE1 (0.31) MEN1POLBKMT2ABACE1
SCHEMBL24036884 0.88 BACE1 (0.31) MEN1POLBKMT2ABACE1
SCHEMBL25753645 0.87 DDR1 (0.36) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL25623203 0.87 DDR1 (0.36) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL25622763 0.86 NOTUM (0.42) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL25753544 0.86 NOTUM (0.42) ITGB3ITGB1ITGAVITGA5ITGB5

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 HTR2C 27/4885ITGB3 4177/4885ITGB1 4421/4885

“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.