SCHEMBL4878627

SCHEMBL4878627

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.52
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 3/20 0.49
PPARG P37231 3/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
EDNRA P25101 2/20 0.46
HSD11B1 P28845 1/20 0.46
PCTP Q9UKL6 3/20 0.45
STARD10 Q9Y365 2/20 0.45
STARD7 Q9NQZ5 1/20 0.45
CYP3A4 P08684 1/20 0.45
EDNRB P24530 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4884322 0.88 CA1 (0.55) ADRA2BLMNAALOX12PPARGEDNRA
SCHEMBL715498 0.87 ADRA2B (0.47) ADRA2BLMNAMAPTEDNRAHSD11B1
SCHEMBL14018681 0.81 MAPT (0.53) MEN1LMNAMAPTALOX12KMT2A
SCHEMBL715496 0.81 ADRA2B (0.43) ADRA2BLMNAMAPTKMT2AITGA1
SCHEMBL4878635 0.80 MAPT (0.51) MEN1LMNAMAPTALOX12KMT2A
SCHEMBL4882845 0.79 PPARG (0.63) MEN1LMNAMAPTALOX12KMT2A
SCHEMBL4875554 0.78 MAPT (0.54) MEN1LMNAMAPTALOX12KMT2A
SCHEMBL4875550 0.77 MAPT (0.48) MEN1LMNAMAPTALOX12KMT2A
SCHEMBL4882733 0.75 MAPT (0.51) MEN1LMNAMAPTALOX12KMT2A
SCHEMBL94831 0.75 MAPT (0.63) MEN1LMNAMAPTALOX12KMT2A

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 ADRA2B 235/4885MEN1 4427/4885LMNA 3369/4885

“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.