SCHEMBL4882845

SCHEMBL4882845

Cc1cc(C)nc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.63
CYP3A4 P08684 5/20 0.53
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
NLRP1 Q9C000 1/20 0.50
ITGA1 P56199 1/20 0.49
PGR P06401 2/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL14018681 0.81 MAPT (0.53) PPARGCYP3A4MEN1LMNAMAPT
SCHEMBL4878635 0.80 MAPT (0.51) PPARGCYP3A4MEN1LMNAMAPT
SCHEMBL4878627 0.79 ADRA2B (0.52) PPARGCYP3A4MEN1LMNAMAPT
SCHEMBL4875554 0.78 MAPT (0.54) PPARGCYP3A4MEN1LMNAMAPT
SCHEMBL4696087 0.77 PPARG (1.00) PPARGCYP3A4PGR
SCHEMBL4875550 0.77 MAPT (0.48) PPARGCYP3A4MEN1LMNAMAPT
SCHEMBL4882733 0.75 MAPT (0.51) PPARGCYP3A4MEN1LMNAMAPT
SCHEMBL14018772 0.75 MAPT (0.63) PPARGCYP3A4MEN1LMNAMAPT
SCHEMBL94831 0.75 MAPT (0.63) PPARGCYP3A4MEN1LMNAMAPT
SCHEMBL14018770 0.74 CDK1 (0.47) PPARGCYP3A4MEN1LMNAMAPT

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 PPARG 743/4885CYP3A4 950/4885MEN1 4427/4885

“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.