SCHEMBL3294452

SCHEMBL3294452

Cc1ccc(S(=O)(=O)OCC2Cc3c(ccc4c3CCCC4)O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
CYP2C19 P33261 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CA2 P00918 1/20 0.37
DPP4 P27487 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NLRP3 Q96P20 1/20 0.33
SLC12A2 P55011 1/20 0.33
SLC12A5 Q9H2X9 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL3295072 0.85 ALDH1A1 (0.40) ALDH1A1CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL3290555 0.82 DPP4 (0.39) ALDH1A1CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL4225253 0.78 ALDH1A1 (0.43) ALDH1A1CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL4226996 0.77 CA2 (0.39) ALDH1A1CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL5968789 0.77 CA2 (0.52) ALDH1A1CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL4228979 0.76 LMNA (0.41) ALDH1A1CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL13230301 0.76 CA2 (0.51) ALDH1A1CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL3292315 0.76 ALDH1A1 (0.37) ALDH1A1CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL7288434 0.75 HRH3 (0.51) ALDH1A1CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL9370374 0.75 MAOB (0.39) ALDH1A1CYP2C19CYP3A4CYP2D6TSHR

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-7728155-B2 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH LLC (US) 2010-06-01 US disclosed
EP-1675842-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-07-05 EP disclosed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 US disclosed
WO-2005040146-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WYETH (US) 2005-05-06 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-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents HTR2C, HTR1A, HTR1B ALDH1A1 185/4885CYP2C19 515/4885CYP3A4 359/4885

“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.