SCHEMBL493668

SCHEMBL493668

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)O)Cc2ccccc2)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.45
TAS2R14 Q9NYV8 4/20 0.45
AVPR1B P47901 2/20 0.44
F2 P00734 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 1/20 0.41
PTPN1 P18031 1/20 0.40

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
SCHEMBL12317319 0.89 TAS2R14 (0.43) AVPR1ATAS2R14AVPR1BF2ALDH1A1
SCHEMBL493626 0.86 BDKRB1 (0.47) TAS2R14
SCHEMBL493475 0.86 TSHR (0.40) AVPR1AAVPR1BF2ALDH1A1GAA
SCHEMBL4095611 0.85 AVPR1B (0.48) AVPR1ATAS2R14AVPR1BF2ALDH1A1
SCHEMBL2926610 0.83 KDM4E (0.41) AVPR1AAVPR1BF2ALDH1A1GAA
SCHEMBL3818355 0.82 ALDH1A1 (0.44) AVPR1AALDH1A1
SCHEMBL14033598 0.82 BDKRB1 (0.40) TAS2R14ALDH1A1
SCHEMBL492920 0.82 BDKRB1 (0.47)
SCHEMBL4090935 0.80 AVPR1A (0.40) AVPR1AAVPR1BF2ALDH1A1
SCHEMBL2929302 0.79 ALDH1A1 (0.40) AVPR1AAVPR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
WO-2009090054-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US 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-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 AVPR1A 63/4885TAS2R14 265/4885AVPR1B 64/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 AVPR1A 23/4885TAS2R14 413/4885AVPR1B 14/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD AVPR1A 537/4885TAS2R14 1127/4885AVPR1B 780/4885

“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.