SCHEMBL20758652

SCHEMBL20758652

c1ccc2c(c1)OC(c1ccc3c(c1)SC(c1ccc4c(c1)OCCS4)CS3)O2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
STING1 Q86WV6 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL19492456 0.94 CTNNB1 (0.38) CTNNB1WNT3ASTING1
SCHEMBL22221997 0.89 CTNNB1 (0.38) CTNNB1WNT3ASTING1
SCHEMBL22221839 0.80 CTNNB1 (0.43) CTNNB1WNT3ASTING1
SCHEMBL20662320 0.75 NISCH (0.32) NPC1RAB9A
SCHEMBL19312347 0.75 LTA4H (0.47) NPC1RAB9A
SCHEMBL19492439 0.70 FAAH (0.32)
SCHEMBL18839045 0.69 LTA4H (0.46) CTNNB1WNT3ANPC1RAB9A
SCHEMBL21966458 0.68 LTA4H (0.34) NPC1RAB9A
SCHEMBL19155331 0.68 FAAH (0.31)
SCHEMBL19301936 0.67 NPC1 (0.31) NPC1RAB9A

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-10457672-B2 γ-diketones as Wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2019-10-29 US disclosed
US-20190055227-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS VENTURE FUND VI PTE. LTD. (SG) 2019-02-21 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 (2 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-20190055227-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 CTNNB1 6/4885WNT3A 4/4885STING1 1440/4885
US-10457672-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 CTNNB1 5/4885WNT3A 4/4885STING1 1567/4885

“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.