SCHEMBL7466566

SCHEMBL7466566

Cc1ccc(S(=O)(=O)OO[C@H]2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 3/20 0.49
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45
EBP Q15125 1/20 0.45
DHCR7 Q9UBM7 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL3235228 0.86 CYP2D6 (0.59) ALDH1A1KDM4EPKMCYP2D6CYP1A2
SCHEMBL6863028 0.86 CYP2D6 (0.59) ALDH1A1KDM4EPKMCYP2D6CYP1A2
SCHEMBL3235232 0.86 CYP2D6 (0.59) ALDH1A1KDM4EPKMCYP2D6CYP1A2
SCHEMBL24479773 0.83 HSD11B1 (0.54) ALDH1A1KDM4EPKMPOLBHTT
SCHEMBL8879797 0.80 CYP2D6 (0.66) ALDH1A1KDM4EPKMCYP2D6CYP1A2
SCHEMBL8425188 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EPKMCYP2D6CYP1A2
SCHEMBL6881853 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EPKMCYP2D6CYP1A2
SCHEMBL841102 0.77 DHCR7 (0.53) CYP2D6CYP1A2KMT2AMEN1MAPT
SCHEMBL493725 0.76 PKM (0.61) ALDH1A1KDM4EPKMPOLBHTT
SCHEMBL31023297 0.76 ENPP3 (0.47) ALDH1A1CYP2D6CYP1A2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission LIN NAN-HORNG (US) 2002-10-17 US disclosed
EP-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 EP disclosed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 WO 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-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission GAP43, SLC18A2, GABRE ALDH1A1 3872/4885KDM4E 1251/4885PKM 1004/4885

“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.