SCHEMBL2221872

SCHEMBL2221872

CN1CCC(Nc2cc(S(=O)(=O)c3c[nH]c4cc(F)ccc34)ccc2C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
TDO2 P48775 9/20 0.42
CDK7 P50613 4/20 0.40
CCNH P51946 4/20 0.40
MNAT1 P51948 3/20 0.40
SFRP1 Q8N474 2/20 0.38
HTR6 P50406 1/20 0.36
HTR1F P30939 1/20 0.36
CCNK O75909 3/20 0.36
CDK12 Q9NYV4 3/20 0.36
CCNT1 O60563 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CDK9 P50750 2/20 0.36
CYP3A4 P08684 1/20 0.35
JAK3 P52333 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
SCHEMBL2224015 0.90 CYP3A4 (0.41) KCNH2CDK7CCNHMNAT1SFRP1
SCHEMBL2220948 0.89 MAPT (0.41) KCNH2CDK7CCNHMNAT1SFRP1
SCHEMBL2226483 0.88 KCNH2 (0.47) KCNH2TDO2HTR6HTR1FCYP3A4
SCHEMBL2266345 0.88 KCNH2 (0.43) KCNH2TDO2HTR6HTR1FCYP3A4
SCHEMBL2224088 0.87 KCNH2 (0.43) KCNH2TDO2HTR6HTR1FCYP3A4
SCHEMBL2222150 0.86 KCNH2 (0.58) KCNH2TDO2HTR6CYP3A4
SCHEMBL2224849 0.85 CYP3A4 (0.43) KCNH2SFRP1HTR6CCNKCDK12
SCHEMBL2222595 0.83 MAPT (0.50) KCNH2HTR6CYP3A4
SCHEMBL2222211 0.83 KCNH2 (0.47) KCNH2TDO2HTR6CDK2CYP3A4
SCHEMBL2276442 0.82 KCNH2 (0.47) KCNH2TDO2HTR6HTR1FCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521714-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2012-11-14 EP claimed
WO-2011083487-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2011-07-14 WO claimed
US-9018231-B2 Sulfone compounds as 5-HT6 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2015-04-28 US disclosed
US-20130005709-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2013-01-03 US disclosed
EP-2521714-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2012-11-14 EP disclosed
WO-2011083487-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2011-07-14 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-20130005709-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS HTR6, HTR5A, HTR1A KCNH2 2828/4885TDO2 229/4885CDK7 1380/4885

“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.