SCHEMBL25753645

SCHEMBL25753645

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 3/20 0.36
CTSA P10619 2/20 0.34
ITGB1 P05556 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ITGB3 P05106 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
APP P05067 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
ITGA4 P13612 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGDR Q13258 1/20 0.31
CNR2 P34972 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
SCHEMBL25623203 1.00 DDR1 (0.36) DDR1CTSAITGB1HDAC3HDAC1
SCHEMBL24036777 0.89 L3MBTL1 (0.37) L3MBTL1ALDH1A1WDR5GAAMAPT
SCHEMBL25622879 0.89 L3MBTL1 (0.37) L3MBTL1ALDH1A1WDR5GAAMAPT
SCHEMBL25753602 0.89 L3MBTL1 (0.37) L3MBTL1ALDH1A1WDR5GAAMAPT
SCHEMBL25753629 0.88 MEN1 (0.32) ITGB1ITGA4WDR5MAPT
SCHEMBL25623014 0.88 MEN1 (0.32) ITGB1ITGA4WDR5MAPT
SCHEMBL24036896 0.88 MEN1 (0.32) ITGB1ITGA4WDR5MAPT
SCHEMBL24036539 0.87 HTR2C (0.34) DDR1ITGB1ITGB3ITGAVITGA5
SCHEMBL25753649 0.87 HTR2C (0.34) DDR1ITGB1ITGB3ITGAVITGA5
SCHEMBL30388831 0.86 SLC13A3 (0.35) DDR1CTSARAPGEF3WDR5MAPT

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 DDR1 4295/4885CTSA 4587/4885ITGB1 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.