SCHEMBL4884322

SCHEMBL4884322

Cc1cc(C)nc(CNc2ccc(NS(=O)(=O)c3ccc(Br)cc3Cl)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ADRA2B P18089 1/20 0.50
GAA P10253 2/20 0.45
PPARG P37231 1/20 0.42
CDC42 P60953 1/20 0.42
IDH1 O75874 4/20 0.42
ALOX12 P18054 3/20 0.42
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4878627 0.88 ADRA2B (0.52) ADRA2BPPARGIDH1ALOX12EDNRB
SCHEMBL4884325 0.79 CA1 (0.51) CA1CA2CA7CA9CA14
SCHEMBL715498 0.76 ADRA2B (0.47) ADRA2BEDNRALMNA
SCHEMBL4878909 0.73 MAPT (0.63) CA1CA2CA7CA9CA14
SCHEMBL715496 0.70 ADRA2B (0.43) CA1CA2CA9ADRA2BGAA
SCHEMBL14018681 0.70 MAPT (0.53) PPARGALOX12EDNRBEDNRALMNA
SCHEMBL6645605 0.69 GAA (0.75) ADRA2BGAARXFP1TSHRLMNA
SCHEMBL12276475 0.69 CA1 (0.55) CA1CA2CA7CA9CA14
SCHEMBL4878635 0.68 MAPT (0.51) PPARGALOX12EDNRBEDNRALMNA
SCHEMBL4882845 0.68 PPARG (0.63) PPARGALOX12LMNA

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.