SCHEMBL8280451

SCHEMBL8280451

CN(C)c1ccc(NS(=O)(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
KIF11 P52732 1/20 0.53
PLAU P00749 7/20 0.52
PLAT P00750 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
PTGES2 Q9H7Z7 2/20 0.48
KIT P10721 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL8279552 0.86 PLAU (0.63) MAPTLMNATDP1PLAUPLAT
SCHEMBL4877336 0.83 TDP1 (0.62) MAPTLMNATDP1PLAUPGR
SCHEMBL8279533 0.81 TDP1 (0.62) MAPTLMNATDP1PLAUHDAC6
SCHEMBL14018731 0.81 MAPT (0.74) MAPTLMNATDP1PLAUSMN1; SMN2
SCHEMBL8278250 0.80 MAPT (0.64) MAPTLMNATDP1PLAUSMN1; SMN2
SCHEMBL8281111 0.80 PLAU (0.65) MAPTLMNATDP1PLAUPLAT
SCHEMBL8281114 0.80 TDP1 (0.64) MAPTLMNATDP1HDAC3HDAC4
SCHEMBL4875117 0.79 LMNA (0.62) MAPTLMNATDP1PLAUSMN1; SMN2
SCHEMBL14018730 0.79 TDP1 (0.62) MAPTLMNATDP1PTGES2PGR
SCHEMBL8280250 0.78 TDP1 (0.58) MAPTLMNATDP1PTGES2PGR

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 MAPT 4739/4885LMNA 3369/4885TDP1 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.