SCHEMBL493475

SCHEMBL493475

CCN(CCOCC(=O)O)S(=O)(=O)c1c(C)cc(OC)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BDKRB1 P46663 7/20 0.38
AVPR1A P37288 2/20 0.37
AVPR1B P47901 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
F2 P00734 1/20 0.36
GAA P10253 1/20 0.35
NMT1 P30419 1/20 0.34

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
SCHEMBL2926610 0.88 KDM4E (0.41) ALDH1A1BDKRB1AVPR1AAVPR1BPTGDR2
SCHEMBL14033598 0.86 BDKRB1 (0.40) ALDH1A1BDKRB1
SCHEMBL493668 0.86 AVPR1A (0.45) ALDH1A1AVPR1AAVPR1BF2GAA
SCHEMBL492920 0.86 BDKRB1 (0.47) BDKRB1
SCHEMBL4472820 0.85 BDKRB1 (0.50) BDKRB1
SCHEMBL4084741 0.78 BDKRB1 (0.43) BDKRB1
SCHEMBL3810927 0.77 BDKRB1 (0.43) ALDH1A1BDKRB1AVPR1AAVPR1B
SCHEMBL4086577 0.75 KDM4E (0.38) TSHRSMN1; SMN2ALDH1A1BDKRB1AVPR1A
SCHEMBL12317319 0.75 TAS2R14 (0.43) ALDH1A1AVPR1AAVPR1BF2GAA
SCHEMBL3411117 0.74 AVPR1A (0.38) ALDH1A1AVPR1AAVPR1BF2GAA

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-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-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 TSHR 645/4885SMN1; SMN2 1001/4885ALDH1A1 2737/4885
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD TSHR 4051/4885SMN1; SMN2 1729/4885ALDH1A1 1349/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TSHR 3282/4885SMN1; SMN2 824/4885ALDH1A1 863/4885

“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.