SCHEMBL1060725

SCHEMBL1060725

COc1ccc(C)cc1NS(=O)(=O)c1cc(I)c2occc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.51
THRB P10828 1/20 0.48
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTR6 P50406 1/20 0.45
TSHR P16473 3/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
ACLY P53396 1/20 0.42

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
SCHEMBL3964619 0.88 TP53 (0.52) TP53THRBKMT2AALDH1A1MEN1
SCHEMBL1062956 0.85 TP53 (0.49) TP53THRBKMT2AALDH1A1MEN1
SCHEMBL1062664 0.84 TP53 (0.48) TP53THRBKMT2AALDH1A1MEN1
SCHEMBL1065628 0.80 HTR6 (0.64) THRBKMT2AALDH1A1MEN1MAPK1
SCHEMBL5814581 0.80 HTR6 (0.40) KMT2AALDH1A1MEN1MAPK1SMN1; SMN2
SCHEMBL12847947 0.78 HTR6 (0.57) TP53THRBKMT2AALDH1A1MEN1
SCHEMBL2966777 0.78 HTR6 (0.72) TP53THRBKMT2AALDH1A1MEN1
SCHEMBL29405276 0.78 HTR6 (0.72) TP53THRBKMT2AALDH1A1MEN1
SCHEMBL1063102 0.78 PKM (0.49) KMT2AALDH1A1MEN1MAPK1SMN1; SMN2
SCHEMBL1062492 0.77 HTR6 (0.47) TP53THRBKMT2AALDH1A1MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-7582767-B2 Substituted sulphonamide compound and uses thereof BIOVITRUM AB (PUBL.) (SE) 2009-09-01 US disclosed
EP-1896460-B1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS BIOVITRUM AB PUBL (SE) 2009-07-22 EP disclosed
EP-1896460-A1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS Biovitrum AB (publ) (SE) 2008-03-12 EP disclosed
US-20060293361-A1 N-[7-(4-piperidinyl)oxy-1-benzofuran-5-yl]-5-hydroxymethyl-2-methoxybenzenesulfonamide; the prophylaxis and treatment of medical conditions relating to obesity, type II diabetes, CNS disorders, to achieve reduction of body weight and/or body weight gain PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-28 US disclosed
WO-2006134150-A1 BENZOFURANYL DERIVATIVES AS 5-HT6-RECEPTOR INHIBITORS BIOVITRUM AB (PUBL) (SE) 2006-12-21 WO disclosed
US-20060287291-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-21 US disclosed
EP-1694663-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER Biovitrum Aktiebolag (SE) 2006-08-30 EP disclosed
WO-2005058858-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER BIOVITRUM AB (SE) 2005-06-30 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 (3 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-20060287291-A1 Compounds HTR6, HTR1B, HTR1A TP53 4487/4885THRB 1033/4885KMT2A 3728/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A TP53 4239/4885THRB 1924/4885KMT2A 3354/4885
US-20060293361-A1 N-[7-(4-piperidinyl)oxy-1-benzofuran-5-yl]-5-hydroxymethyl-2-methoxybenzenesulfonamide; the prophylaxis and treatment of medical conditions relating to obesity, type II diabetes, CNS disorders, to achieve reduction of body weight and/or body weight gain GPR119, CNR2, SULT1E1 TP53 4884/4885THRB 899/4885KMT2A 776/4885

“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.