SCHEMBL4618795

SCHEMBL4618795

O=S(=O)(NC1CCOCC1)c1cc(Br)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.52
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BRD4 O60885 2/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSB P07858 1/20 0.43
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FBP1 P09467 1/20 0.39
CTSC P53634 1/20 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
SCHEMBL2875807 0.86 ALDH1A1 (0.61) ALDH1A1L3MBTL1BRD4MAPK1HTT
SCHEMBL21760947 0.83 L3MBTL1 (0.48) GSTO1ALDH1A1L3MBTL1BRD4CTSL
SCHEMBL3410369 0.83 L3MBTL1 (0.48) GSTO1ALDH1A1L3MBTL1BRD4CTSL
SCHEMBL4669291 0.83 GSTO1 (0.52) GSTO1ALDH1A1L3MBTL1BRD4MAPK1
SCHEMBL16097609 0.81 CA1 (0.46) ALDH1A1L3MBTL1BRD4CTSLCTSS
SCHEMBL17394430 0.80 L3MBTL1 (0.60) ALDH1A1L3MBTL1BRD4MAPTTP53
SCHEMBL4727780 0.80 CTSL (0.40) GSTO1ALDH1A1L3MBTL1BRD4CTSL
SCHEMBL3637450 0.79 L3MBTL1 (0.44) GSTO1ALDH1A1L3MBTL1BRD4CTSL
SCHEMBL4618096 0.79 ALDH1A1 (0.50) GSTO1ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL16098447 0.78 MAPK1 (0.40) GSTO1ALDH1A1L3MBTL1BRD4CTSL

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 3 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 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 GSTO1 3342/4885ALDH1A1 1865/4885L3MBTL1 4156/4885

“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.