SCHEMBL3790848

SCHEMBL3790848

CC(=O)S[C@H]1CCC[C@@]1(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.47
NFE2L2 Q16236 3/20 0.47
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TGM2 P21980 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
DPP4 P27487 1/20 0.39
DPP9 Q86TI2 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL3778653 1.00 KEAP1 (0.47) KEAP1NFE2L2HTTMEN1KMT2A
SCHEMBL3788955 1.00 KEAP1 (0.47) KEAP1NFE2L2HTTMEN1KMT2A
SCHEMBL1044092 0.93 KEAP1 (0.48) KEAP1NFE2L2HTTMEN1KMT2A
SCHEMBL3784529 0.93 KEAP1 (0.48) KEAP1NFE2L2HTTMEN1KMT2A
SCHEMBL3787513 0.83 HTT (0.50) KEAP1NFE2L2HTTMEN1KMT2A
SCHEMBL3787712 0.80 HTT (0.45) KEAP1NFE2L2HTTMEN1KMT2A
SCHEMBL1041146 0.78 HTT (0.51) KEAP1NFE2L2HTTMEN1KMT2A
SCHEMBL1077185 0.75 HTT (0.46) KEAP1NFE2L2HTTMEN1KMT2A
SCHEMBL10186734 0.72 HTT (0.63) KEAP1NFE2L2HTTLMNASMN1; SMN2
SCHEMBL1551249 0.71 HTT (0.53) KEAP1NFE2L2HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309341-B2 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them Les Laboratories Server (FR) 2012-11-13 US disclosed
US-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-12-30 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-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them CYP2B6, CYP2A6, MC5R KEAP1 4029/4885NFE2L2 1019/4885HTT 3042/4885

“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.