SCHEMBL14018751

SCHEMBL14018751

CN(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MAPT P10636 5/20 0.63
HTT P42858 4/20 0.63
TDP1 Q9NUW8 4/20 0.54
LMNA P02545 4/20 0.52
GFER P55789 2/20 0.52
BRD4 O60885 2/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MAPK1 P28482 1/20 0.48
MCL1 Q07820 1/20 0.48
SGK1 O00141 4/20 0.47
PFKFB3 Q16875 1/20 0.46
ACLY P53396 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL4880800 0.86 MAPT (0.79) ALDH1A1MAPTHTTTDP1LMNA
SCHEMBL4878909 0.83 MAPT (0.63) ALDH1A1MAPTHTTTDP1LMNA
SCHEMBL8281149 0.83 ALDH1A1 (0.52) ALDH1A1MAPTHTTTDP1LMNA
SCHEMBL95834 0.81 BRD4 (0.51) MAPTHTTLMNABRD4CA1
SCHEMBL14018752 0.79 ALDH1A1 (0.68) ALDH1A1MAPTHTTTDP1LMNA
SCHEMBL14018756 0.78 ALDH1A1 (0.68) ALDH1A1MAPTHTTTDP1LMNA
SCHEMBL14018748 0.77 ALDH1A1 (1.00) ALDH1A1MAPTHTTTDP1LMNA
SCHEMBL6676918 0.77 ALDH1A1 (0.58) ALDH1A1MAPTHTTTDP1LMNA
SCHEMBL13629290 0.76 BRD4 (0.52) ALDH1A1MAPTBRD4SGK1PFKFB3
SCHEMBL13615216 0.76 BRD4 (0.52) BRD4MCL1SGK1PFKFB3SMN1; SMN2

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 2 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

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 685/4885MAPT 4739/4885HTT 4729/4885

“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.