SCHEMBL4727780

SCHEMBL4727780

CC(C)c1ccc(Br)cc1S(=O)(=O)NC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
CTSB P07858 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
DRD2 P14416 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CTSC P53634 1/20 0.39
MAPT P10636 4/20 0.39
BRD4 O60885 2/20 0.38
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
GSTO1 P78417 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL4638693 0.81 DRD2 (0.46) HTTDRD2MAPTBRD4L3MBTL1
SCHEMBL4618795 0.80 GSTO1 (0.52) CTSLCTSSCTSKCTSBMAPK1
SCHEMBL16097609 0.80 CA1 (0.46) CTSLCTSSCTSKCTSBMAPK1
SCHEMBL4616096 0.80 SFRP1 (0.49) SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL17394430 0.80 L3MBTL1 (0.60) DRD2ADRA1DADRA1AADRA1BMAPT
SCHEMBL6103313 0.79 HTR1A (0.42) DRD2ADRA1DADRA1AADRA1BHTR1A
SCHEMBL16098447 0.78 MAPK1 (0.40) CTSLCTSSCTSKCTSBMAPK1
SCHEMBL4616617 0.78 SFRP1 (0.41) LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL6101132 0.78 SFRP1 (0.39) MAPTBRD4LMNASMN1; SMN2GSTO1
SCHEMBL4618843 0.77 ALDH1A1 (0.39) DRD2BRD4LMNASMN1; SMN2L3MBTL1

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 CTSL 3368/4885CTSS 2065/4885CTSK 2544/4885

“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.