SCHEMBL4879586

SCHEMBL4879586

CN(C)c1ccc(NS(=O)(=O)c2cc(Br)c(Cl)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TDP1 Q9NUW8 3/20 0.52
MAPT P10636 5/20 0.51
LMNA P02545 4/20 0.51
GFER P55789 2/20 0.51
HTT P42858 2/20 0.51
MAPK1 P28482 1/20 0.47
MCL1 Q07820 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
CCNA1 P78396 1/20 0.41
CDK6 Q00534 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL5231576 0.82 MAPT (0.49) ALDH1A1MAPTLMNAHTTMAPK1
SCHEMBL5229776 0.78 MEN1 (0.55) MAPTMAPK1MCL1CA1CA2
SCHEMBL14018585 0.78 ALDH1A1 (0.46) ALDH1A1TDP1MAPTLMNAGFER
SCHEMBL5230476 0.77 FBP1 (0.44) ALDH1A1MAPTLMNAHTTCDK1
SCHEMBL6541965 0.74 UTS2R (0.52) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL1510259 0.73 FBP1 (0.48) MAPTLMNACA1CA2CDK1
SCHEMBL5230621 0.73 CES1 (0.50) ALDH1A1TDP1MAPTCA1CA2
SCHEMBL9997253 0.72 PFKFB3 (0.63) ALDH1A1TDP1MAPTMCL1TP53
SCHEMBL15055776 0.72 PFKFB3 (0.50) ALDH1A1MAPTLMNAHTTCA1
SCHEMBL4878909 0.71 MAPT (0.63) ALDH1A1TDP1MAPTLMNAGFER

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
EP-1732884-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2006-12-20 EP 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 ALDH1A1 685/4885TDP1 4009/4885MAPT 4739/4885

“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.