SCHEMBL4880041

SCHEMBL4880041

COc1cc(OC)nc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 9/20 0.55
ITGA1 P56199 2/20 0.53
CCR4 P51679 1/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
PPARG P37231 2/20 0.52
MEN1 O00255 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 1/20 0.51
NLRP1 Q9C000 1/20 0.51
TP53 P04637 1/20 0.49
SLC40A1 Q9NP59 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL14018641 0.81 MAPT (0.53) CCR4MAPTLMNAMEN1KMT2A
SCHEMBL3268660 0.77 ITGA1 (0.68) ITGA1MAPTLMNAPPARGMEN1
SCHEMBL14018772 0.76 MAPT (0.63) ITGA1MAPTLMNAPPARGMEN1
SCHEMBL4882914 0.73 PGR (0.61) ITGA1MAPTLMNAPPARGMEN1
SCHEMBL8279501 0.73 PLAU (0.65) MAPTLMNAMEN1KMT2A
SCHEMBL94831 0.73 MAPT (0.63) ITGA1MAPTLMNAPPARGMEN1
SCHEMBL28121241 0.73 MAPT (0.63) SGK1ITGA1MAPTLMNAPPARG
SCHEMBL14018681 0.72 MAPT (0.53) ITGA1MAPTLMNAPPARGMEN1
SCHEMBL7996747 0.72 SGK1 (0.61) SGK1MAPT
SCHEMBL7577795 0.72 ITGA1 (0.74) ITGA1MAPTLMNAPPARGMEN1

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 SGK1 4716/4885ITGA1 7/4885CCR4 2151/4885

“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.