SCHEMBL6800908

SCHEMBL6800908

CCNCc1cc(S(=O)(=O)C(C)C)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.59
HTR2A P28223 16/20 0.59
KCNH2 Q12809 14/20 0.59
EPAS1 Q99814 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SOS1 Q07889 2/20 0.42

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
SCHEMBL5838748 0.89 SLC6A4 (0.75) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL7568917 0.84 HTR2A (0.55) SLC6A4HTR2AKCNH2EPAS1SLC6A2
SCHEMBL5836407 0.77 HTR2A (0.67) SLC6A4HTR2AKCNH2EPAS1
SCHEMBL5836402 0.76 HTR2A (0.48) SLC6A4HTR2AKCNH2EPAS1SOS1
SCHEMBL5836991 0.75 HTR2A (0.80) SLC6A4HTR2AKCNH2
SCHEMBL5838755 0.74 HTR2A (0.73) SLC6A4HTR2AKCNH2
SCHEMBL2629466 0.70 HTR7 (0.46)
SCHEMBL5837060 0.69 SLC6A4 (0.67) SLC6A4HTR2AKCNH2EPAS1SLC6A2
SCHEMBL10834476 0.68 HRH3 (0.49) SLC6A4HTR2AKCNH2EPAS1HRH3
SCHEMBL6153137 0.68 HTR2A (0.67) SLC6A4HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020147206-A1 Combination treatment of multiple sclerosis (MS), other demyelinating conditions and peripheral neuropathy, especially painful neuropathies and diabetic neuropathy PFIZER INC. 2002-10-10 US claimed
US-6677378-B2 AS SEROTONIN, NOREPINEPHRINE AND DOPAMINE REUPTAKE INHIBITORS, FOR THERAPY OF CENTRAL NERVOUS SYSTEM AND OTHER DISORDERS PFIZER INC. 2004-01-13 US disclosed
US-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC. 2002-10-03 US disclosed
US-6436938-B1 ADMINISTERING A SIGMA RECEPTOR LIGAND IN COMBINATION WITH AN ANTIDEPRESSANT AGENT; ESPECIALLY FOR REFRACTORY DEPRESSION PFIZER INC. 2002-08-20 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 (2 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-20020147206-A1 Combination treatment of multiple sclerosis (MS), other demyelinating conditions and peripheral neuropathy, especially painful neuropathies and diabetic neuropathy PMP22, GAP43, SLC6A2 SLC6A4 4/4885HTR2A 108/4885KCNH2 368/4885
US-20020143003-A1 Monoamine reuptake inhibitors for treatment of CNS disorders SLC6A2, SLC6A4, SLC6A3 SLC6A4 2/4885HTR2A 24/4885KCNH2 1224/4885

“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.