SCHEMBL5069790

SCHEMBL5069790

OCCN1CC2CC1CO2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGAM O43451 1/20 0.36
GBA1 P04062 1/20 0.36
LCT P09848 1/20 0.36
SI P14410 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
AGL P35573 1/20 0.33
WNT1 P04628 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
KIF11 P52732 2/20 0.31
PDE10A Q9Y233 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
SCHEMBL21772277 1.00 GAA (0.36) GAATDP1MGAMGBA1LCT
SCHEMBL17706305 1.00 GAA (0.36) GAATDP1MGAMGBA1LCT
Hydrochloric Acid SCHEMBL25366904 0.98 GAA (0.35) GAATDP1MGAMGBA1LCT
Hydrochloric Acid SCHEMBL25368246 0.98 GAA (0.35) GAATDP1MGAMGBA1LCT
SCHEMBL1446550 0.89 KIF11 (0.34) ESR1ESR2WNT1GSK3BDYRK1A
SCHEMBL16107187 0.89 KIF11 (0.34) ESR1ESR2WNT1GSK3BDYRK1A
SCHEMBL19617858 0.89 KIF11 (0.34) ESR1ESR2WNT1GSK3BDYRK1A
SCHEMBL26015562 0.89 KIF11 (0.34) ESR1ESR2WNT1GSK3BDYRK1A
SCHEMBL15366079 0.80 ESR1 (0.32) ESR1ESR2PDE10A
SCHEMBL23775665 0.80 KIF11 (0.32) ESR1ESR2WNT1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US claimed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP claimed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 US claimed
WO-2025236100-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2025-11-20 WO disclosed
US-20200055871-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-02-20 US disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP disclosed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 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 (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-20200055871-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF RARB, RARG, RARA GAA 1203/4885TDP1 1270/4885MGAM 4556/4885
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 GAA 148/4885TDP1 857/4885MGAM 1073/4885

“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.