SCHEMBL31463192

SCHEMBL31463192

COc1ccc2c(c1)CN(C(=O)CCC(=O)O)C2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 6/20 0.57
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
ROCK1 Q13464 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.47
NAMPT P43490 2/20 0.46
S1PR1 P21453 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ABHD6 Q9BV23 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL25276580 0.84 RYR2 (0.53) RYR2ESR1ESR2ROCK1ALDH1A1
SCHEMBL30666345 0.84 RYR2 (0.53) RYR2ESR1ESR2ROCK1ALDH1A1
SCHEMBL15989340 0.84 ESR1 (0.53) RYR2ESR1ESR2ROCK1NAMPT
SCHEMBL30685013 0.82 ESR1 (0.52) RYR2ESR1ESR2ROCK1NAMPT
SCHEMBL31463281 0.82 RYR2 (0.51) RYR2ESR1ESR2ROCK1NAMPT
SCHEMBL15880544 0.82 ESR1 (0.57) RYR2ESR1ESR2ROCK1NAMPT
SCHEMBL30677763 0.82 ESR1 (0.57) RYR2ESR1ESR2ROCK1NAMPT
SCHEMBL31463297 0.81 NAMPT (0.57) RYR2ESR1ESR2NAMPT
SCHEMBL31463189 0.80 ESR1 (0.47) RYR2ESR1ESR2ROCK1NAMPT
SCHEMBL27205831 0.80 ESR1 (0.47) RYR2ESR1ESR2ROCK1NAMPT

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-20250108123-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2025-04-03 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-20250108123-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF STING1, IRF3, CGAS RYR2 2941/4885ESR1 3431/4885ESR2 3444/4885

“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.