SCHEMBL8279552

SCHEMBL8279552

COc1ccc(-c2cccc(S(=O)(=O)Nc3ccc(N(C)C)cc3)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 9/20 0.63
PGR P06401 3/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
PFKFB3 Q16875 1/20 0.56
PLAT P00750 2/20 0.55
F2 P00734 1/20 0.53
NPY5R Q15761 1/20 0.52
CYP19A1 P11511 1/20 0.52

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
SCHEMBL8281111 0.91 PLAU (0.65) PLAUPGRLMNAMAPTTDP1
SCHEMBL4880948 0.87 LMNA (0.58) PLAULMNAMAPTTDP1ALDH1A1
SCHEMBL8280451 0.86 MAPT (0.55) PLAUPGRLMNAMAPTTDP1
SCHEMBL8281101 0.85 PLAU (0.66) PLAUPGRLMNAMAPTALDH1A1
SCHEMBL4877336 0.85 TDP1 (0.62) PLAUPGRLMNAMAPTTDP1
SCHEMBL14018731 0.85 MAPT (0.74) PLAUPGRLMNAMAPTTDP1
SCHEMBL8279533 0.85 TDP1 (0.62) PLAUPGRLMNAMAPTTDP1
SCHEMBL8280443 0.84 LMNA (0.55) PLAULMNAMAPTTDP1ALDH1A1
SCHEMBL8280249 0.83 LMNA (0.60) PLAUPGRLMNAMAPTTDP1
SCHEMBL8752441 0.83 ALDH1A1 (0.72) PGRLMNAMAPTTDP1ALDH1A1

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
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
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 PLAU 2220/4885PGR 421/4885LMNA 3369/4885

“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.