SCHEMBL4882757

SCHEMBL4882757

CC(C)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.72
BRD4 O60885 1/20 0.59
HSD17B2 P37059 1/20 0.59
PKM P14618 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MAPT P10636 3/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAP2K4 P45985 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
PIM1 P11309 1/20 0.50
LTK P29376 1/20 0.50

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
SCHEMBL1859217 0.83 PGR (0.68) PGRBRD4HSD17B2PKMMAPT
SCHEMBL22441735 0.83 PGR (0.72) PGRBRD4HSD17B2PKMSMN1; SMN2
SCHEMBL28121844 0.83 PKM (0.72) PGRBRD4HSD17B2PKMMAPT
SCHEMBL13797609 0.82 PGR (0.72) PGRPKMSMN1; SMN2MAPTTHRB
SCHEMBL13995037 0.81 PGR (0.69) PGRPKMSMN1; SMN2MAPTALDH1A1
SCHEMBL30565215 0.81 PGR (0.75) PGRBRD4HSD17B2PKMSMN1; SMN2
SCHEMBL1403074 0.81 PGR (0.75) PGRBRD4HSD17B2PKMSMN1; SMN2
SCHEMBL1489068 0.80 PGR (0.65) PGRBRD4HSD17B2PKMMAPT
SCHEMBL94971 0.80 PGR (0.65) PGRBRD4HSD17B2PKMALDH1A1
SCHEMBL14018657 0.79 PGR (0.72) PGRBRD4HSD17B2PKMMAPT

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
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

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 PGR 421/4885BRD4 669/4885HSD17B2 814/4885

“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.