SCHEMBL8280437

SCHEMBL8280437

COc1ccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.63
HTT P42858 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ERAP1 Q9NZ08 1/20 0.60
ALDH1A1 P00352 5/20 0.58
MAPT P10636 2/20 0.57
PFKFB3 Q16875 1/20 0.56
PLAU P00749 2/20 0.56
KMT2A Q03164 4/20 0.55
TSHR P16473 3/20 0.55
MEN1 O00255 3/20 0.55
PKM P14618 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53

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
SCHEMBL8281106 0.88 PFKFB3 (0.54) LMNAHTTSMN1; SMN2ERAP1ALDH1A1
SCHEMBL8281101 0.85 PLAU (0.66) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL6795551 0.84 LMNA (0.77) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL7806243 0.82 KMT2A (0.60) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL14044734 0.82 CA12 (0.74) LMNAHTTSMN1; SMN2ERAP1ALDH1A1
SCHEMBL7797547 0.80 KMT2A (0.64) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL3466165 0.80 ACLY (0.58) LMNAALDH1A1MAPTKMT2AACLY
SCHEMBL9264771 0.80 PSEN1 (0.65)
SCHEMBL10119724 0.80 CA12 (0.79) LMNAHTTSMN1; SMN2ERAP1ALDH1A1
SCHEMBL4880948 0.80 LMNA (0.58) LMNAHTTSMN1; SMN2ERAP1ALDH1A1

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 LMNA 3369/4885HTT 4729/4885SMN1; SMN2 4203/4885

“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.