SCHEMBL4636995

SCHEMBL4636995

Cc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCCCN1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C19 P33261 1/20 0.67
POLB P06746 4/20 0.59
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 2/20 0.57
KMT2A Q03164 1/20 0.56
SFRP1 Q8N474 1/20 0.54
LMNA P02545 1/20 0.52
MBTD1 Q05BQ5 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTR1A P08908 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51

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
SCHEMBL4619595 0.94 ALDH1A1 (0.67) CYP3A4CYP2D6CYP2C19POLBALDH1A1
SCHEMBL4617223 0.92 SFRP1 (0.64) CYP3A4CYP2D6CYP2C19POLBALDH1A1
SCHEMBL4638749 0.91 SFRP1 (0.66) CYP3A4CYP2D6CYP2C19POLBALDH1A1
SCHEMBL4617959 0.90 SFRP1 (0.56) CYP3A4CYP2D6CYP2C19POLBKMT2A
SCHEMBL4618904 0.84 ALDH1A1 (0.68) CYP3A4CYP2D6CYP2C19POLBALDH1A1
SCHEMBL6102033 0.84 SIGMAR1 (0.54) CYP3A4CYP2D6CYP2C19ALDH1A1MAPK1
SCHEMBL4618056 0.83 ALDH1A1 (0.67) CYP3A4CYP2D6CYP2C19ALDH1A1MAPK1
SCHEMBL4617493 0.82 SFRP1 (0.78) CYP3A4CYP2D6CYP2C19POLBALDH1A1
SCHEMBL4798870 0.80 SFRP1 (0.69) CYP3A4CYP2D6CYP2C19POLBALDH1A1
SCHEMBL4618561 0.80 POLB (0.58) CYP2C19POLBALDH1A1KMT2ASFRP1

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-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP claimed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US claimed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 WO claimed
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 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-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 CYP3A4 3233/4885CYP2D6 2227/4885CYP2C19 2909/4885

“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.