SCHEMBL8281116

SCHEMBL8281116

Cc1nc2cc(NS(=O)(=O)c3cccc(-c4ccc(F)cc4)c3)ccc2o1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.62
PTPN5 P54829 16/20 0.62
PTPN2 P17706 15/20 0.62
HSPD1 P10809 7/20 0.62
HSPE1 P61604 7/20 0.62
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
XBP1 P17861 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
SCHEMBL8280448 0.92 MAPT (0.64) PTPN1PTPN5PTPN2HSPD1HSPE1
SCHEMBL712861 0.85 L3MBTL1 (0.47) PTPN1PTPN5PTPN2HSPD1HSPE1
SCHEMBL4880510 0.81 PTPN1 (0.72) PTPN1PTPN5PTPN2HSPD1HSPE1
SCHEMBL712862 0.79 L3MBTL1 (0.50) PTPN1PTPN5PTPN2HSPD1HSPE1
SCHEMBL8278276 0.79 LMNA (0.66) PTPN1PTPN5PTPN2HSPD1HSPE1
SCHEMBL31700557 0.75 PTPN2 (1.00) PTPN1PTPN5PTPN2HSPD1HSPE1
SCHEMBL8278270 0.75 PFKFB3 (0.51) MAPT
SCHEMBL8280269 0.74 PFKFB3 (0.53)
SCHEMBL8278220 0.74 PGR (0.62) ALDH1A1MEN1KMT2A
SCHEMBL8279518 0.73 PFKFB3 (0.49) PTPN1PTPN5PTPN2HSPD1HSPE1

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 PTPN1 1619/4885PTPN5 1697/4885PTPN2 1095/4885

“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.