SCHEMBL4878909

SCHEMBL4878909

CN(C)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.63
▸ ALDH1A1 P00352 5/20 0.63
▸ HTT P42858 3/20 0.63
▸ CA1 P00915 2/20 0.61
▸ CA2 P00918 2/20 0.61
▸ CA7 P43166 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ CA14 Q9ULX7 1/20 0.61
▸ TDP1 Q9NUW8 4/20 0.54
▸ LMNA P02545 5/20 0.52
▸ GFER P55789 2/20 0.52
▸ MAPK1 P28482 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ EDNRA P25101 1/20 0.47
▸ PPARG P37231 1/20 0.46
▸ IDH1 O75874 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ACLY P53396 1/20 0.45
▸ ALOX12 P18054 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
SCHEMBL4880800 0.86 MAPT (0.79) MAPTALDH1A1HTTCA1CA2
SCHEMBL14018751 0.83 ALDH1A1 (0.63) MAPTALDH1A1HTTCA1CA2
SCHEMBL4884325 0.82 CA1 (0.51) MAPTALDH1A1HTTCA1CA2
SCHEMBL14018752 0.79 ALDH1A1 (0.68) MAPTALDH1A1HTTCA1CA2
SCHEMBL14018775 0.78 ALPL (0.59) MAPTHTTLMNAEDNRAKMT2A
SCHEMBL14018756 0.78 ALDH1A1 (0.68) MAPTALDH1A1HTTCA1CA2
SCHEMBL14018748 0.77 ALDH1A1 (1.00) MAPTALDH1A1HTTTDP1LMNA
SCHEMBL2832955 0.76 MAPT (0.73) MAPTALDH1A1HTTCA1CA2
SCHEMBL14018755 0.74 ALDH1A1 (0.62) MAPTALDH1A1HTTCA1CA2
SCHEMBL4180844 0.74 TDP1 (0.70) MAPTALDH1A1HTTCA1CA2

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 4 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
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 (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 MAPT 4739/4885ALDH1A1 685/4885HTT 4729/4885

“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.

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