SCHEMBL4877336

SCHEMBL4877336

CN(C)c1ccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
PFKFB3 Q16875 1/20 0.53
MAP2K4 P45985 8/20 0.52
ALDH1A1 P00352 3/20 0.51
PGR P06401 2/20 0.51
MAPK1 P28482 1/20 0.51
GFER P55789 1/20 0.51
MCL1 Q07820 1/20 0.51
PKM P14618 1/20 0.49
MAP2K7 O14733 3/20 0.47
PLAU P00749 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL8281114 0.91 TDP1 (0.64) TDP1LMNAMAPTMAP2K4ALDH1A1
SCHEMBL14018730 0.90 TDP1 (0.62) TDP1LMNAMAPTMAP2K4ALDH1A1
SCHEMBL8278250 0.89 MAPT (0.64) TDP1LMNAMAPTMAP2K4ALDH1A1
SCHEMBL8279533 0.87 TDP1 (0.62) TDP1LMNAMAPTPFKFB3ALDH1A1
SCHEMBL14018731 0.87 MAPT (0.74) TDP1LMNAMAPTMAP2K4ALDH1A1
SCHEMBL8279552 0.85 PLAU (0.63) TDP1LMNAMAPTPFKFB3ALDH1A1
SCHEMBL4875117 0.85 LMNA (0.62) TDP1LMNAMAPTPFKFB3ALDH1A1
SCHEMBL4882546 0.84 TDP1 (0.56) TDP1LMNAMAPTPFKFB3MAP2K4
SCHEMBL8280250 0.84 TDP1 (0.58) TDP1LMNAMAPTMAP2K4ALDH1A1
SCHEMBL8279502 0.84 TDP1 (0.58) TDP1LMNAMAPTPFKFB3ALDH1A1

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 TDP1 4009/4885LMNA 3369/4885MAPT 4739/4885

“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.