SCHEMBL3778657

SCHEMBL3778657

CC(=O)S[C@@]1(Cc2ccccc2)CCC[C@]1(CCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TGM2 P21980 1/20 0.42
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
FOLH1 Q04609 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
SCHEMBL3790851 1.00 HTT (0.46) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL3787516 0.82 HTT (0.51) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL1044092 0.72 KEAP1 (0.48) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL3784529 0.72 KEAP1 (0.48) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL25568628 0.71 HTT (0.62) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL22035074 0.71 LMNA (0.57) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL18254066 0.69 HTT (0.81) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL10186734 0.69 HTT (0.63) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL3778653 0.69 KEAP1 (0.47) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL10845190 0.69 HTT (0.67) HTTLMNASMN1; SMN2TGM2KEAP1

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 HTT 3042/4885LMNA 4673/4885SMN1; SMN2 3384/4885

“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.