SCHEMBL4180844

SCHEMBL4180844

CN(C)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.70
MAPT P10636 3/20 0.70
LMNA P02545 2/20 0.70
PGR P06401 3/20 0.60
BRD4 O60885 1/20 0.59
HSD17B2 P37059 1/20 0.59
ALDH1A1 P00352 3/20 0.57
GFER P55789 2/20 0.57
MAPK1 P28482 1/20 0.57
MCL1 Q07820 1/20 0.57
PKM P14618 1/20 0.55
HTT P42858 1/20 0.51
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
PIM1 P11309 1/20 0.50
LTK P29376 1/20 0.50
KDR P35968 1/20 0.50
MAPK14 Q16539 1/20 0.50
LRRK2 Q5S007 1/20 0.50
AURKB Q96GD4 1/20 0.50

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
SCHEMBL1859217 0.83 PGR (0.68) MAPTPGRBRD4HSD17B2ALDH1A1
SCHEMBL8279529 0.82 MAPT (0.70) TDP1MAPTLMNAPGRALDH1A1
SCHEMBL2832955 0.81 MAPT (0.73) TDP1MAPTLMNAALDH1A1GFER
SCHEMBL5718766 0.81 ALDH1A1 (0.73) TDP1MAPTLMNAPGRALDH1A1
SCHEMBL1403074 0.81 PGR (0.75) MAPTPGRBRD4HSD17B2ALDH1A1
SCHEMBL30565215 0.81 PGR (0.75) MAPTPGRBRD4HSD17B2ALDH1A1
SCHEMBL94971 0.80 PGR (0.65) PGRBRD4HSD17B2ALDH1A1PKM
SCHEMBL22441735 0.80 PGR (0.72) TDP1MAPTLMNAPGRBRD4
SCHEMBL1489068 0.80 PGR (0.65) MAPTPGRBRD4HSD17B2ALDH1A1
SCHEMBL28121844 0.80 PKM (0.72) MAPTPGRBRD4HSD17B2PKM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023735-A1 Sulphonamide Derivatives BIOTIE THERAPIES CORP. (FI) 2009-01-22 US disclosed
US-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 US disclosed
US-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 US disclosed
US-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 US disclosed
EP-1924554-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2008-05-28 EP disclosed
WO-2007034035-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2007-03-29 WO disclosed
EP-1732884-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2006-12-20 EP disclosed
WO-2005090298-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 WO disclosed
WO-2005090297-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 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 (2 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-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread NR1I2, ITGA2, ITGB2 TDP1 4009/4885MAPT 4739/4885LMNA 3369/4885
US-20090023735-A1 Sulphonamide Derivatives HCAR1, ADGRE5, ALK TDP1 4726/4885MAPT 4881/4885LMNA 1673/4885

“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.