SCHEMBL3787513

SCHEMBL3787513

O=C(NCCC[C@@]1(C(=O)OCc2ccccc2)CCC[C@@H]1S)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TGM2 P21980 1/20 0.46
KEAP1 Q14145 3/20 0.45
NFE2L2 Q16236 3/20 0.45
ALDH1A1 P00352 1/20 0.44
DPP8 Q6V1X1 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
DPP4 P27487 1/20 0.42
DPP9 Q86TI2 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
PREP P48147 2/20 0.40
FOLH1 Q04609 1/20 0.40

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
SCHEMBL1041146 0.93 HTT (0.51) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3787712 0.84 HTT (0.45) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3778653 0.83 KEAP1 (0.47) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3788955 0.83 KEAP1 (0.47) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3790848 0.83 KEAP1 (0.47) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1044092 0.78 KEAP1 (0.48) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3784529 0.78 KEAP1 (0.48) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1077185 0.77 HTT (0.46) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL25568628 0.74 HTT (0.62) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL18254066 0.73 HTT (0.81) HTTKMT2ALMNASMN1; SMN2TGM2

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 3042/4885MEN1 2378/4885KMT2A 3725/4885

“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.