SCHEMBL3776673

SCHEMBL3776673

NCCCCC1(C(=O)OCc2ccccc2)CCCC1O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3779088 0.88 DDB1 (0.39) DDB1CRBNNR1H2NR1H3CYP2C19
SCHEMBL3787665 0.78 KCNA5 (0.42) CYP2C19SMN1; SMN2
SCHEMBL3781275 0.77 CYP17A1 (0.49)
SCHEMBL1044762 0.77 SMN1; SMN2 (0.42) CYP2C19SMN1; SMN2
SCHEMBL3782495 0.76 SMN1; SMN2 (0.52) CYP2C19SMN1; SMN2
SCHEMBL1039613 0.75 CPB2 (0.40) CPB2
SCHEMBL27567104 0.75 LMNA (0.51)
SCHEMBL1043158 0.74 SMN1; SMN2 (0.44) NR1H2NR1H3CYP2C19SMN1; SMN2
SCHEMBL3776399 0.73 SMN1; SMN2 (0.54) CYP2C19SMN1; SMN2
SCHEMBL1665018 0.72 TSHR (0.39) NR1H2NR1H3

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 CPB2 1603/4885DDB1 4038/4885CRBN 764/4885

“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.