SCHEMBL4874498

SCHEMBL4874498

Cc1nnc(-c2cccc(S(=O)(=O)Nc3ccc(N(C)C)cc3)c2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
LMNA P02545 3/20 0.58
MAPT P10636 3/20 0.58
HTT P42858 2/20 0.58
TDP1 Q9NUW8 3/20 0.56
MAPK1 P28482 2/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CCR9 P51686 1/20 0.49
GFER P55789 1/20 0.49
MCL1 Q07820 1/20 0.49
CCKBR P32239 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PTPN2 P17706 3/20 0.44
PTPN1 P18031 3/20 0.44
PTPN5 P54829 3/20 0.44
NAMPT P43490 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
SCHEMBL17340528 0.82 MAPT (0.55) ALDH1A1LMNAMAPTHTTMAPK1
SCHEMBL29603162 0.79 HPGD (0.56) ALDH1A1LMNAMAPTHTTMAPK1
SCHEMBL14018727 0.78 MAPT (0.64) ALDH1A1LMNAMAPTHTTTDP1
SCHEMBL4875117 0.77 LMNA (0.62) ALDH1A1LMNAMAPTTDP1MAPK1
SCHEMBL8281131 0.76 TDP1 (0.64) ALDH1A1LMNAMAPTTDP1MAPK1
SCHEMBL8281114 0.76 TDP1 (0.64) ALDH1A1LMNAMAPTTDP1MAPK1
SCHEMBL4875083 0.75 CYP11B1 (0.63) ALDH1A1LMNAMAPTTDP1MAPK1
SCHEMBL8280249 0.75 LMNA (0.60) ALDH1A1LMNAMAPTHTTTDP1
SCHEMBL8281109 0.75 TDP1 (0.60) ALDH1A1LMNAMAPTTDP1MAPK1
SCHEMBL4877306 0.75 PFKFB4 (0.67) LMNAMAPTTDP1

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 ALDH1A1 685/4885LMNA 3369/4885MAPT 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.