SCHEMBL8281131

SCHEMBL8281131

CN(C)c1ccc(NS(=O)(=O)c2cccc(-c3cccc(O)c3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 2/20 0.64
HSD17B1 P14061 8/20 0.56
HSD17B2 P37059 8/20 0.56
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 1/20 0.52
GFER P55789 1/20 0.52
MCL1 Q07820 1/20 0.52
HSPD1 P10809 3/20 0.46
PTPN5 P54829 3/20 0.46
HSPE1 P61604 3/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PFKFB3 Q16875 1/20 0.46
PGR P06401 1/20 0.46
UQCRB P14927 1/20 0.46
PKM P14618 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL8281114 0.84 TDP1 (0.64) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL8279498 0.84 MAPT (0.60) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL4877336 0.83 TDP1 (0.62) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL8279533 0.83 TDP1 (0.62) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL4875117 0.83 LMNA (0.62) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL14018730 0.83 TDP1 (0.62) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL14018731 0.83 MAPT (0.74) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL8279502 0.83 TDP1 (0.58) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL8278250 0.82 MAPT (0.64) TDP1LMNAMAPTALDH1A1MAPK1
SCHEMBL14018733 0.82 MAPT (0.68) TDP1LMNAMAPTALDH1A1MAPK1

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
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
WO-2005090298-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.