SCHEMBL8281101

SCHEMBL8281101

COc1ccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 9/20 0.66
MAP2K4 P45985 1/20 0.65
PGR P06401 3/20 0.62
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
HTT P42858 1/20 0.61
PLAT P00750 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59
PFKFB3 Q16875 1/20 0.58
F2 P00734 1/20 0.55
CYP19A1 P11511 1/20 0.55

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
SCHEMBL7806571 0.92 PLAU (0.57) PLAUMAP2K4PGRALDH1A1LMNA
SCHEMBL8280437 0.85 LMNA (0.63) PLAUALDH1A1LMNAMAPTHTT
SCHEMBL8279552 0.85 PLAU (0.63) PLAUPGRALDH1A1LMNAMAPT
SCHEMBL8278220 0.84 PGR (0.62) MAP2K4PGRALDH1A1PFKFB3
SCHEMBL8279520 0.83 PLAU (0.53) PLAUMAP2K4ALDH1A1LMNAMAPT
SCHEMBL4183800 0.83 KEAP1 (0.56) PLAUMAP2K4PGRPFKFB3
SCHEMBL8281106 0.82 PFKFB3 (0.54) PLAUMAP2K4ALDH1A1LMNAMAPT
SCHEMBL14599514 0.82 UCHL1 (0.63) PLAUMAP2K4PGRALDH1A1LMNA
SCHEMBL4877336 0.82 TDP1 (0.62) PLAUMAP2K4PGRALDH1A1LMNA
SCHEMBL13631957 0.81 MAP2K4 (0.66) MAP2K4ALDH1A1LMNAMAPTHTT

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 2220/4885MAP2K4 4738/4885PGR 421/4885

“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.