SCHEMBL4616844

SCHEMBL4616844

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.43
HTR2A P28223 4/20 0.43
KCNH2 Q12809 4/20 0.43
HSD11B1 P28845 2/20 0.41
HTR2B P41595 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
PTGS2 P35354 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
SCHEMBL4617055 0.86 ALDH1A1 (0.44) HTR2CHSD11B1HTR2BMAPTALDH1A1
SCHEMBL4617330 0.85 HTR2A (0.43) HTR2CHTR2AKCNH2HSD11B1CA1
SCHEMBL4616494 0.84 HSD11B1 (0.44) HSD11B1ALDH1A1LMNA
SCHEMBL4636860 0.81 CNR2 (0.43) HSD11B1MAPTALDH1A1LMNAPKM
SCHEMBL4616004 0.80 LMNA (0.45) HTR2CHSD11B1HTR2BMAPTALDH1A1
SCHEMBL4617920 0.77 HTR1A (0.45) HTR2A
SCHEMBL4617002 0.77 SFRP1 (0.42) HTR2CHTR2AKCNH2HSD11B1HTR2B
SCHEMBL4617754 0.76 CA1 (0.44) HTR2CHTR2AKCNH2CA1CA2
SCHEMBL4619047 0.76 CA1 (0.50) HTR2CHTR2AKCNH2HSD11B1CA1
SCHEMBL4619044 0.76 TDO2 (0.46) HTR2CHTR2AKCNH2HSD11B1CA1

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
CN-101208299-A Diarylsulfone sulfonamides and use therof WYETH CORP (US) 2008-06-25 CN disclosed
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 HTR2C 3668/4885HTR2A 4158/4885KCNH2 4468/4885

“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.