SCHEMBL4617754

SCHEMBL4617754

CC(C)c1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 4/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
LMNA P02545 2/20 0.41
SFRP1 Q8N474 2/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
CYP2C19 P33261 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39

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
SCHEMBL4619047 0.85 CA1 (0.50) CA1CA2ALDH1A1PKMMEN1
SCHEMBL4616319 0.85 PDE4A (0.46) CA1CA2ALDH1A1PKMMEN1
SCHEMBL4616751 0.84 ALDH1A1 (0.52) ALDH1A1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL4617178 0.83 CA1 (0.48) CA1CA2ALDH1A1PKMMEN1
SCHEMBL4619044 0.83 TDO2 (0.46) CA1CA2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4618215 0.82 SIGMAR1 (0.51) MEN1KMT2ASMN1; SMN2GAAPDK1
SCHEMBL4619016 0.82 RAB9A (0.49) ALDH1A1PKMSMN1; SMN2SFRP1TAAR1
SCHEMBL4617326 0.81 SFRP1 (0.40) ALDH1A1PKMMEN1KMT2ASMN1; SMN2
SCHEMBL4673207 0.81 ALOX5AP (0.40) CA1CA2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4619248 0.81 TBXAS1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2SFRP1

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-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US 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 CA1 1450/4885CA2 2749/4885ALDH1A1 1865/4885

“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.