SCHEMBL3787712

SCHEMBL3787712

CS(=O)(=O)OC1CCCC1(CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 3/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TGM2 P21980 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 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
SCHEMBL1077185 0.93 HTT (0.46) HTTMEN1KMT2AKEAP1NFE2L2
SCHEMBL3787513 0.84 HTT (0.50) HTTMEN1KMT2AKEAP1NFE2L2
SCHEMBL3790848 0.80 KEAP1 (0.47) HTTMEN1KMT2AKEAP1NFE2L2
SCHEMBL3778653 0.80 KEAP1 (0.47) HTTMEN1KMT2AKEAP1NFE2L2
SCHEMBL3788955 0.80 KEAP1 (0.47) HTTMEN1KMT2AKEAP1NFE2L2
SCHEMBL1041146 0.79 HTT (0.51) HTTMEN1KMT2AKEAP1NFE2L2
SCHEMBL3785614 0.78 CYP17A1 (0.46) KMT2ALMNA
SCHEMBL1042956 0.78 NPC1 (0.38) SMN1; SMN2
SCHEMBL3788783 0.77 SMN1; SMN2 (0.46) HTTSMN1; SMN2TGM2MMP2MMP9
SCHEMBL1043277 0.76 NPC1 (0.39) SMN1; SMN2

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.