SCHEMBL24916486

SCHEMBL24916486

COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c2c(c1)C(=O)NCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
NOTUM Q6P988 2/20 0.34
MAPK14 Q16539 4/20 0.33
PARP1 P09874 3/20 0.33
NCOA1 Q15788 2/20 0.33
NCOA3 Q9Y6Q9 2/20 0.33
HTT P42858 1/20 0.33
CASP3 P42574 1/20 0.33
PARP10 Q53GL7 3/20 0.32
PARP11 Q9NR21 2/20 0.32
PARP15 Q460N3 1/20 0.32
PARP14 Q460N5 1/20 0.32
TIPARP Q7Z3E1 1/20 0.32
PARP16 Q8N5Y8 1/20 0.32
CDK2 P24941 2/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
HTR5A P47898 1/20 0.31
PLK4 O00444 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
SCHEMBL29923758 1.00 PTGDR2 (0.34) PTGDR2NOTUMMAPK14PARP1NCOA1
SCHEMBL29923807 0.89 CDK2 (0.38) PARP1NCOA1NCOA3PARP10PARP11
SCHEMBL27167349 0.80 NOTUM (0.34) NOTUMMAPK14CASP3DRD2DRD4
SCHEMBL22990372 0.74 PARP10 (0.47) NOTUMPARP1PARP10PARP11
SCHEMBL14151101 0.73 NOTUM (0.43) NOTUM
SCHEMBL730816 0.73 NOTUM (0.48) NOTUM
SCHEMBL14448997 0.71 NOTUM (0.47) NOTUM
SCHEMBL25977472 0.71 THRB (0.46) NOTUMHTT
SCHEMBL30190488 0.70 WDR5 (0.44)
SCHEMBL29923978 0.70 WDR5 (0.42) MAPK14

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 PTGDR2 4233/4885NOTUM 2981/4885MAPK14 1358/4885

“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.