SCHEMBL6009972

SCHEMBL6009972

CC12CC3CC(C)(C1)CC(NCCC(F)(F)S(=O)O)(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.49
GRIN2A Q12879 3/20 0.49
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
EPHX2 P34913 6/20 0.40
HDAC6 Q9UBN7 7/20 0.40
HDAC8 Q9BY41 6/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC3 O15379 4/20 0.40
DPP4 P27487 1/20 0.37

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
SCHEMBL6008625 0.80 EPHX2 (0.38) EPHX2DPP4
SCHEMBL5507384 0.76 GRIN2D (0.49) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL15356479 0.73 GRIN2D (0.65) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1150387 0.71 GRIN1 (0.72) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL5504696 0.70 GRIN2D (0.49) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL21518422 0.70 GRIN2D (0.56) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL18425590 0.69 GRIN2D (0.59) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL15353580 0.69 GRIN1 (0.59) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL29940548 0.69 GRIN1 (0.59) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL15353582 0.69 GRIN1 (0.59) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 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-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases APP, PSEN1, TTR GRIN1 3102/4885GRIN2A 2552/4885GRIN2D 2807/4885

“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.