SCHEMBL8280443

SCHEMBL8280443

COc1ccc(-c2cccc(S(=O)(=O)Nc3ccc(N(C)C)cc3)c2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.55
MAPT P10636 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
ERAP1 Q9NZ08 1/20 0.51
PLAU P00749 3/20 0.47
ALDH1A1 P00352 4/20 0.47
KIT P10721 1/20 0.47
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CNR1 P21554 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL4880948 0.90 LMNA (0.58) LMNAMAPTTDP1ERAP1PLAU
SCHEMBL8278250 0.87 MAPT (0.64) LMNAMAPTTDP1ERAP1PLAU
SCHEMBL8280249 0.84 LMNA (0.60) LMNAMAPTTDP1PLAUALDH1A1
SCHEMBL8279552 0.84 PLAU (0.63) LMNAMAPTTDP1PLAUALDH1A1
SCHEMBL4877336 0.83 TDP1 (0.62) LMNAMAPTTDP1PLAUALDH1A1
SCHEMBL8281111 0.82 PLAU (0.65) LMNAMAPTTDP1PLAUALDH1A1
SCHEMBL8281114 0.82 TDP1 (0.64) LMNAMAPTTDP1ALDH1A1KMT2A
SCHEMBL14018730 0.81 TDP1 (0.62) LMNAMAPTTDP1ALDH1A1HTT
SCHEMBL8279533 0.79 TDP1 (0.62) LMNAMAPTTDP1PLAUALDH1A1
SCHEMBL14018731 0.79 MAPT (0.74) LMNAMAPTTDP1PLAUALDH1A1

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 3369/4885MAPT 4739/4885TDP1 4009/4885

“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.