SCHEMBL4884325

SCHEMBL4884325

Cc1cc(C)nc(N(C)c2ccc(NS(=O)(=O)c3ccc(Br)cc3Cl)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
PPARG P37231 3/20 0.46
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 3/20 0.44
IDH1 O75874 3/20 0.41
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
ACLY P53396 1/20 0.39
GFER P55789 1/20 0.39
CDC42 P60953 1/20 0.38
EDNRA P25101 2/20 0.38
EDNRB P24530 1/20 0.38
ALOX12 P18054 1/20 0.37

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
SCHEMBL4875554 0.89 MAPT (0.54) PPARGMAPTALDH1A1HTTLMNA
SCHEMBL4882733 0.86 MAPT (0.51) PPARGMAPTALDH1A1HTTLMNA
SCHEMBL4878909 0.82 MAPT (0.63) CA1CA2CA7CA9CA14
SCHEMBL4884322 0.79 CA1 (0.55) CA1CA2CA7CA9CA14
SCHEMBL14018770 0.76 CDK1 (0.47) PPARGMAPTALDH1A1HTTLMNA
SCHEMBL715497 0.72 MAPT (0.42) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL4878237 0.71 SMN1; SMN2 (0.43) MAPTALDH1A1HTTLMNAKMT2A
SCHEMBL14018589 0.71 SMN1; SMN2 (0.48) MAPTALDH1A1LMNAKMT2AGAA
SCHEMBL14018681 0.69 MAPT (0.53) PPARGMAPTALDH1A1HTTLMNA
SCHEMBL4880800 0.69 MAPT (0.79) CA1CA2PPARGMAPTALDH1A1

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
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
WO-2005090297-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 CA1 1769/4885CA2 1535/4885CA7 3039/4885

“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.