SCHEMBL13588809

SCHEMBL13588809

CC(C)S(=O)(=O)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.68
KCNH2 Q12809 4/20 0.68
PSMB1 P20618 5/20 0.63
PSMB5 P28074 5/20 0.63
ESR1 P03372 1/20 0.60
ESR2 Q92731 1/20 0.60
LTA4H P09960 1/20 0.57
ALDH1A1 P00352 1/20 0.57
PSMB2 P49721 4/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL13588800 0.99 HRH3 (0.68) HRH3KCNH2PSMB1PSMB5ESR1
SCHEMBL13588807 0.86 CA12 (0.70) HRH3KCNH2LTA4HALDH1A1KDM4E
SCHEMBL13588805 0.86 LTA4H (0.53) HRH3KCNH2PSMB1PSMB5ESR1
SCHEMBL13589529 0.82 HRH3 (0.73) HRH3KCNH2PSMB1PSMB5LTA4H
SCHEMBL7466649 0.80 HRH3 (1.00) HRH3KCNH2PSMB1PSMB5LTA4H
SCHEMBL13588808 0.79 NPC1 (0.49) HRH3KCNH2ESR1ESR2
SCHEMBL10223295 0.78 PSMB1 (0.82) HRH3PSMB1PSMB5LTA4HALDH1A1
Hydrochloric Acid SCHEMBL7653369 0.78 HRH3 (0.68) HRH3KCNH2PSMB1PSMB5ESR1
Hydrochloric Acid SCHEMBL7653228 0.78 HRH3 (0.68) HRH3KCNH2PSMB1PSMB5ESR1
SCHEMBL7653368 0.78 HRH3 (0.68) HRH3KCNH2PSMB1PSMB5LTA4H

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 HRH3 752/4885KCNH2 50/4885PSMB1 3070/4885

“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.