SCHEMBL13360905

SCHEMBL13360905

CC12C[C@H]3C[C@@H](C1)CC(NCC(O)CS(=O)(=O)O)(C3)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.40
EPHX2 P34913 7/20 0.38
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
ADRB3 P13945 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL12248056 1.00 TSHR (0.43) TSHRHTTEPHX2GRIN2DGRIN3B
SCHEMBL12226594 0.84 HTT (0.46) HTTEPHX2ADRB3GAA
SCHEMBL10231087 0.84 HTT (0.46) HTTEPHX2ADRB3GAA
SCHEMBL21518431 0.74 GRIN2D (0.50) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5504092 0.73 GRIN2D (0.49) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16063017 0.71 HTT (0.34) HTTADRB3GAA
SCHEMBL21518364 0.71 ADRB3 (0.41) HTTEPHX2ADRB3LMNA
SCHEMBL1150594 0.70 TSHR (0.47) TSHREPHX2GRIN2DGRIN3BGRIN1
SCHEMBL353997 0.69 ADRB3 (0.39) HTTEPHX2ADRB3
SCHEMBL5504913 0.68 ADRB3 (0.38) HTTEPHX2ADRB3

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-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 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-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TSHR 4779/4885HTT 10/4885EPHX2 678/4885

“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.