SCHEMBL4881670

SCHEMBL4881670

O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
NPSR1 Q6W5P4 1/20 0.66
HSD17B2 P37059 2/20 0.56
PGR P06401 2/20 0.56
ESR1 P03372 1/20 0.55
HSD17B3 P37058 1/20 0.54
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
CES1 P23141 1/20 0.53
CYP19A1 P11511 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
PKLR P30613 1/20 0.51
IDO1 P14902 1/20 0.50
ITGA1 P56199 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
SCHEMBL7563643 0.86 CES1 (0.72) MAPTHSD17B2ESR1HSD17B3FFAR1
SCHEMBL10361762 0.86 MAPT (0.65) MAPTNPSR1HSD17B2PGRHSD17B3
SCHEMBL7571133 0.83 MAPT (0.63) MAPTPGRESR1CYP19A1ALDH1A1
SCHEMBL23093373 0.83 PRMT1 (0.62) MAPTNPSR1HSD17B2HSD17B3CES1
SCHEMBL5163794 0.83 LMNA (0.62) MAPTPGRFFAR4CYP19A1ALDH1A1
SCHEMBL9535518 0.82 NPSR1 (0.65) MAPTNPSR1HSD17B2PGRCES1
SCHEMBL18395077 0.81 CES1 (0.81) MAPTNPSR1PGRCES1CYP19A1
SCHEMBL12757602 0.81 CES1 (0.81) MAPTNPSR1PGRCES1CYP19A1
SCHEMBL3915628 0.81 HDAC1 (0.54) MAPTHSD17B2PGRHSD17B3CES1
SCHEMBL29561437 0.80 PGR (0.69) MAPTNPSR1HSD17B2PGRCES1

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 4739/4885NPSR1 524/4885HSD17B2 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.