SCHEMBL4881739

SCHEMBL4881739

Cc1nc2cc(NS(=O)(=O)c3cccc(Br)c3)ccc2s1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.72
HTT P42858 8/20 0.72
ALDH1A1 P00352 4/20 0.72
ALOX15 P16050 1/20 0.72
MAPK1 P28482 1/20 0.72
SMN1; SMN2 Q16637 7/20 0.60
TP53 P04637 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PKM P14618 3/20 0.60
POLB P06746 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
HSD17B2 P37059 1/20 0.56
NOD2 Q9HC29 1/20 0.56
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN5 P54829 1/20 0.54
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PGR P06401 1/20 0.48

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
SCHEMBL14018663 0.91 HTT (0.71) LMNAHTTALDH1A1ALOX15MAPK1
SCHEMBL10089746 0.86 LMNA (0.65) LMNAHTTALDH1A1ALOX15MAPK1
SCHEMBL4940110 0.84 LMNA (0.60) LMNAHTTALDH1A1ALOX15MAPK1
SCHEMBL8278276 0.81 LMNA (0.66) LMNAHTTALDH1A1ALOX15MAPK1
SCHEMBL10089754 0.81 LMNA (0.67) LMNAHTTALDH1A1ALOX15MAPK1
SCHEMBL10089749 0.80 PKM (0.64) LMNAHTTALDH1A1ALOX15MAPK1
SCHEMBL4939122 0.79 PKM (0.60) LMNAHTTALDH1A1ALOX15MAPK1
SCHEMBL2845061 0.79 LMNA (0.64) LMNAHTTALDH1A1ALOX15MAPK1
SCHEMBL10089766 0.78 LMNA (0.71) LMNAHTTALDH1A1ALOX15MAPK1
SCHEMBL10089769 0.77 LMNA (0.85) LMNAHTTALDH1A1ALOX15MAPK1

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 LMNA 3369/4885HTT 4729/4885ALDH1A1 685/4885

“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.