SCHEMBL4883342

SCHEMBL4883342

CN(C)c1ccc(NS(=O)(=O)c2ccc(-c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MAPT P10636 5/20 0.57
TDP1 Q9NUW8 4/20 0.57
LMNA P02545 4/20 0.57
MCL1 Q07820 2/20 0.57
MAPK1 P28482 1/20 0.57
GFER P55789 1/20 0.57
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL6513209 0.94 ALDH1A1 (0.51) ALDH1A1MAPTTDP1LMNAMCL1
SCHEMBL30828575 0.81 ALDH1A1 (0.78) ALDH1A1MAPTTDP1LMNAMCL1
SCHEMBL12249595 0.81 ENPP3 (0.49) ALDH1A1MAPTTDP1LMNAMEN1
SCHEMBL3518263 0.80 CDK9 (0.52) ALDH1A1MAPTTDP1LMNAMCL1
SCHEMBL5718766 0.78 ALDH1A1 (0.73) ALDH1A1MAPTTDP1LMNAMCL1
SCHEMBL28032113 0.78 ALDH1A1 (0.73) ALDH1A1MAPTTDP1LMNAMCL1
SCHEMBL8278267 0.76 ATM (0.71) ALDH1A1MAPTTDP1LMNAMCL1
SCHEMBL5377000 0.75 POLB (0.58) ALDH1A1MAPTLMNAMCL1MAPK1
SCHEMBL8280452 0.74 LMNA (0.68) ALDH1A1MAPTTDP1LMNAMCL1
SCHEMBL14018736 0.74 ALDH1A1 (0.91) ALDH1A1MAPTTDP1LMNAMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (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-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 ALDH1A1 685/4885MAPT 4739/4885TDP1 4009/4885

“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.