SCHEMBL2224892

SCHEMBL2224892

COc1ccc(S(=O)(=O)c2cc(Br)ccc2OC)cc1NC1CCN(C)CC1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
CYP3A4 P08684 5/20 0.40
CYP2D6 P10635 4/20 0.40
ALDH1A1 P00352 1/20 0.40
KCNH2 Q12809 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTR7 P34969 4/20 0.38
DRD2 P14416 3/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
ADRA1B P35368 3/20 0.38
SLC6A2 P23975 2/20 0.38
HRH1 P35367 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SLC6A4 P31645 1/20 0.38
ALOX15 P16050 1/20 0.38
ALPL P05186 1/20 0.38
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.37
GHSR Q92847 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
SCHEMBL2223601 0.84 CYP3A4 (0.55) GAACYP3A4CYP2D6ALDH1A1KCNH2
Hydrochloric Acid SCHEMBL2224607 0.83 CYP3A4 (0.54) GAACYP3A4CYP2D6ALDH1A1KCNH2
SCHEMBL16986605 0.82 GLA (0.38) GAAALDH1A1SMN1; SMN2HTR7ALOX15
Hydrochloric Acid SCHEMBL2223570 0.81 GLA (0.37) GAAALDH1A1SMN1; SMN2HTR7ALOX15
SCHEMBL16986613 0.78 CYP3A4 (0.49) GAACYP3A4CYP2D6ALDH1A1KCNH2
Hydrochloric Acid SCHEMBL2224225 0.77 CYP3A4 (0.49) GAACYP3A4CYP2D6ALDH1A1KCNH2
SCHEMBL16986606 0.76 GLA (0.36) GAAALDH1A1SMN1; SMN2HTR7ALOX15
Hydrochloric Acid SCHEMBL2224896 0.75 GLA (0.35) GAAALDH1A1SMN1; SMN2HTR7ALOX15
SCHEMBL16986598 0.75 HTR6 (0.42) GAACYP3A4CYP2D6ALDH1A1KCNH2
SCHEMBL16986591 0.74 KCNH2 (0.64) CYP3A4CYP2D6KCNH2SMN1; SMN2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005709-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2013-01-03 US claimed
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
EP-2521714-B1 Aromatic sulfone compounds useful in the treatment of central nervous disorders SUVEN LIFE SCIENCES LTD (IN) 2015-08-12 EP disclosed
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 GAA 4268/4885CYP3A4 138/4885CYP2D6 24/4885

“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.