SCHEMBL29923807

SCHEMBL29923807

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.38
PARP1 P09874 5/20 0.36
PARP10 Q53GL7 7/20 0.34
ACHE P22303 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
PARP11 Q9NR21 6/20 0.33
PARP15 Q460N3 1/20 0.32
PARP14 Q460N5 1/20 0.32
TIPARP Q7Z3E1 1/20 0.32
PARP16 Q8N5Y8 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
PLK4 O00444 1/20 0.31
DAPK3 O43293 1/20 0.31
DYRK3 O43781 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
SCHEMBL24916486 0.89 PTGDR2 (0.34) CDK2PARP1PARP10PARP11PARP15
SCHEMBL29923758 0.89 PTGDR2 (0.34) CDK2PARP1PARP10PARP11PARP15
SCHEMBL30337016 0.72 MRGPRX4 (0.38) CDK2PARP1PARP10ACHEMRGPRX4
SCHEMBL10129818 0.72 MRGPRX4 (0.38) CDK2PARP1PARP10ACHEMRGPRX4
SCHEMBL24681333 0.70 BRD4 (0.35) PARP1PARP10NCOA1NCOA3
SCHEMBL1417460 0.69 PARP10 (0.51) PARP1PARP10PARP11
SCHEMBL18305057 0.68 PARP10 (0.57) PARP1PARP10MAPKAPK2PARP11
SCHEMBL27167349 0.68 NOTUM (0.34)
SCHEMBL732948 0.66 LCK (0.45) MAPK1
SCHEMBL21199788 0.65 KDR (0.39) PARP1PLK4RPS6KB1KDRAURKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 US disclosed
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP 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-20230012362-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 CDK2 291/4885PARP1 1588/4885PARP10 501/4885

“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.