SCHEMBL4875332

SCHEMBL4875332

O=S(=O)(Nc1ccc(-n2cccc2)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
LMNA P02545 2/20 1.00
ALOX12 P18054 1/20 1.00
NLRP1 Q9C000 1/20 1.00
ALDH1A1 P00352 4/20 0.61
ITGA1 P56199 4/20 0.59
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
PKM P14618 3/20 0.55
HPGD P15428 1/20 0.55
PPARG P37231 4/20 0.51
KDM4E B2RXH2 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46

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
SCHEMBL7577795 0.81 ITGA1 (0.74) MAPTMEN1KMT2ALMNAALOX12
SCHEMBL14018765 0.80 MAPT (0.66) MAPTMEN1KMT2ALMNAALOX12
SCHEMBL14018658 0.80 MAPT (0.66) MAPTMEN1KMT2ALMNAALOX12
SCHEMBL94831 0.78 MAPT (0.63) MAPTMEN1KMT2ALMNAALOX12
SCHEMBL14018772 0.78 MAPT (0.63) MAPTMEN1KMT2ALMNAALOX12
SCHEMBL28121241 0.78 MAPT (0.63) MAPTMEN1KMT2ALMNAALOX12
SCHEMBL14018769 0.76 MAPT (0.62) MAPTMEN1KMT2ALMNAALOX12
SCHEMBL2029062 0.76 ITGA1 (0.68) MAPTMEN1KMT2ALMNAALOX12
SCHEMBL3268657 0.76 MAPT (0.61) MAPTMEN1KMT2ALMNAALOX12
SCHEMBL3267463 0.75 HDAC1 (0.66) MAPTMEN1KMT2ALMNAALOX12

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 6 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
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 4739/4885MEN1 4427/4885KMT2A 1119/4885

“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.