SCHEMBL3789396

SCHEMBL3789396

CC(C)(C)OC(=O)C1(CC2CN(C(=O)OCc3ccccc3)C2)CCCC1OS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PARP1 P09874 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
STS P08842 1/20 0.36
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
RORC P51449 1/20 0.35
FFAR2 O15552 1/20 0.35

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
SCHEMBL3781362 0.86 SMN1; SMN2 (0.42) PDE4BSMN1; SMN2NPC1RAB9APARP1
SCHEMBL3780136 0.84 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1043277 0.79 NPC1 (0.39) SMN1; SMN2NPC1RAB9A
SCHEMBL3788783 0.79 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL6166147 0.75 SMN1; SMN2 (0.47) PDE4BSMN1; SMN2NPC1RAB9APARP1
SCHEMBL1042956 0.74 NPC1 (0.38) SMN1; SMN2NPC1RAB9A
SCHEMBL13567846 0.73 SMN1; SMN2 (0.52) PDE4BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL18592896 0.72 SMN1; SMN2 (0.53) PDE4BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10130022 0.72 SMN1; SMN2 (0.48) PDE4BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31617924 0.70 NAMPT (0.56) PDE4BSMN1; SMN2NPC1RAB9ACYP2C19

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 PDE4B 2392/4885SMN1; SMN2 3384/4885NPC1 1976/4885

“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.