SCHEMBL30190488

SCHEMBL30190488

COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c2c(c1)C(=O)N(Cc1cc(OC)cc(OC)c1)CCC2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 16/20 0.44
PTGER4 P35408 2/20 0.38
PTGER2 P43116 2/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29923666 0.81 EGLN1 (0.51) KMT2AALDH1A1SMN1; SMN2
SCHEMBL24916482 0.81 EGLN1 (0.51) KMT2AALDH1A1SMN1; SMN2
SCHEMBL24886246 0.76 WDR5 (0.49) WDR5KMT2A
SCHEMBL24886125 0.75 WDR5 (0.43) WDR5KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL27232914 0.72 WDR5 (0.44) WDR5KMT2A
SCHEMBL29923808 0.71 PARP1 (0.33) WDR5KMT2AALDH1A1SMN1; SMN2
SCHEMBL24886065 0.70 PTGER4 (0.47) WDR5PTGER4PTGER2ALDH1A1PKM
SCHEMBL24916486 0.70 PTGDR2 (0.34)
SCHEMBL29923758 0.70 PTGDR2 (0.34)
SCHEMBL27167349 0.70 NOTUM (0.34) ALDH1A1

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-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 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-20230012362-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 WDR5 1/4885PTGER4 4539/4885PTGER2 4133/4885

“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.