SCHEMBL4884368

SCHEMBL4884368

CN(C)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.65
MAPT P10636 3/20 0.65
LMNA P02545 2/20 0.65
PGR P06401 1/20 0.63
BRD1 O95696 1/20 0.55
BRPF1 P55201 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
GFER P55789 1/20 0.54
MCL1 Q07820 1/20 0.54
HSPD1 P10809 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
PTPN5 P54829 1/20 0.53
HSPE1 P61604 1/20 0.53
BRD4 O60885 1/20 0.52
SGK1 O00141 3/20 0.51
HTR6 P50406 1/20 0.50
CRBN Q96SW2 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL8281109 0.92 TDP1 (0.60) TDP1MAPTLMNAPGRBRD1
SCHEMBL8280250 0.86 TDP1 (0.58) TDP1MAPTLMNAPGRALDH1A1
SCHEMBL19334523 0.83 PGR (0.77) PGRBRD1BRPF1ALDH1A1HSPD1
SCHEMBL29118877 0.82 PGR (0.67) PGRBRD1BRPF1HSPD1PTPN2
SCHEMBL95007 0.82 PGR (0.67) MAPTPGRBRD1BRPF1HSPD1
SCHEMBL5040166 0.80 PGR (0.65) MAPTPGRBRD1BRPF1HSPD1
SCHEMBL4180844 0.79 TDP1 (0.70) TDP1MAPTLMNAPGRALDH1A1
SCHEMBL8279529 0.79 MAPT (0.70) TDP1MAPTLMNAPGRALDH1A1
SCHEMBL5718766 0.78 ALDH1A1 (0.73) TDP1MAPTLMNAPGRALDH1A1
SCHEMBL7537206 0.77 MAPT (0.53) TDP1MAPTLMNAPGRALDH1A1

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 4 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
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 TDP1 4009/4885MAPT 4739/4885LMNA 3369/4885

“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.