SCHEMBL13201332

SCHEMBL13201332

c1ccc2sc(-c3ccc4cc[nH]c4c3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.53
HSD17B1 P14061 2/20 0.48
HSD17B2 P37059 2/20 0.48
ERN1 O75460 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45
AHR P35869 4/20 0.44
TRPA1 O75762 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
ADK P55263 1/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
BRD4 O60885 1/20 0.41
ESR1 P03372 3/20 0.41

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
SCHEMBL21441054 0.88 HDAC6 (0.57) APPHSD17B1HSD17B2ERN1CA1
SCHEMBL20417352 0.86 APP (0.41) APPHSD17B1HSD17B2ERN1CA1
SCHEMBL22363333 0.85 APP (0.40) APPHSD17B1HSD17B2ERN1CA1
SCHEMBL19217080 0.81 ALOX5 (0.42) APPCA1CA2CA9HDAC6
SCHEMBL19346119 0.80 HDAC6 (0.43) APPCA1CA2CA9HDAC6
SCHEMBL16720164 0.80 HDAC6 (0.42) APPHSD17B1HSD17B2HDAC6AHR
SCHEMBL28813263 0.79 APP (0.67) APPHSD17B1HSD17B2ERN1CA1
SCHEMBL20920740 0.79 HDAC6 (0.39) HSD17B1HSD17B2HDAC6AHRBRD4
SCHEMBL5384482 0.78 APP (0.65) APPHSD17B1HSD17B2ERN1CA1
SCHEMBL24177393 0.77 HDAC6 (0.48) APPHSD17B1HSD17B2HDAC6AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331734-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-10-19 US disclosed
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-02-23 US disclosed
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2021-06-15 US disclosed
US-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2020-07-16 US disclosed
US-7772256-B2 2-heteroaryl substituted benzothiophenes and benzofuranes 709 ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7772256-B2 2-heteroaryl substituted benzothiophenes and benzofuranes 709 ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients ASTRAZENECA AB (SE) 2008-09-11 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 (6 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-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 APP 38/4885HSD17B1 135/4885HSD17B2 137/4885
US-20230331734-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, PKD1, ACE2 APP 4041/4885HSD17B1 106/4885HSD17B2 350/4885
US-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients PSEN1, APP, PSEN2 APP 2/4885HSD17B1 1842/4885HSD17B2 2205/4885
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 APP 38/4885HSD17B1 135/4885HSD17B2 137/4885
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 APP 40/4885HSD17B1 137/4885HSD17B2 139/4885
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 APP 36/4885HSD17B1 135/4885HSD17B2 125/4885

“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.