SCHEMBL8280458

SCHEMBL8280458

CSc1nccc(-c2ccc(S(=O)(=O)Nc3ccc(N(C)C)cc3)s2)n1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.77
PFKFB3 Q16875 2/20 0.62
PFKFB4 Q16877 1/20 0.56
CCKBR P32239 1/20 0.49
MMP8 P22894 4/20 0.42
MMP3 P08254 2/20 0.42
POLB P06746 1/20 0.41
GFER P55789 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13633919 0.82 GABRA1 (0.72) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL12335543 0.81 GABRA1 (0.70) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL13211036 0.80 GABRA1 (0.69) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL12334565 0.80 GABRA1 (0.68) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL13633888 0.79 GABRA1 (0.67) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL2197561 0.78 GABRA1 (0.59) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL6627698 0.77 GABRA1 (0.65) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL788220 0.76 PFKFB3 (1.00) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL13633870 0.76 PFKFB3 (0.70) GABRA1PFKFB3PFKFB4CCKBRMMP8
SCHEMBL5692826 0.76 GABRA1 (0.64) GABRA1PFKFB3PFKFB4CCKBRMMP8

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 GABRA1 70/4885PFKFB3 2386/4885PFKFB4 2503/4885

“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.