SCHEMBL5128978

SCHEMBL5128978

Cc1cc(S(=O)(=O)N2CCCCC2COCC(=O)O)c(C)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
EPHX2 P34913 1/20 0.40
BDKRB1 P46663 3/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL5122187 0.85 PTGDR2 (0.53) HCRTR1HCRTR2RAB9APTGDR2MAPT
SCHEMBL702335 0.84 HCRTR1 (0.53) HCRTR1HCRTR2MEN1KMT2AMAPT
SCHEMBL2565014 0.83 LMNA (0.46) HCRTR1HCRTR2LMNAALDH1A1SMN1; SMN2
SCHEMBL15204129 0.82 BDKRB1 (0.45) HCRTR1HCRTR2MEN1KMT2ATHRB
SCHEMBL3822339 0.82 HCRTR1 (0.40) HCRTR1HCRTR2MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL2570810 0.81 BDKRB1 (0.44) HCRTR1HCRTR2MEN1KMT2ATHRB
SCHEMBL3828007 0.81 HCRTR1 (0.39) HCRTR1HCRTR2ALDH1A1RAB9AEPHX2
SCHEMBL2753009 0.81 EPHX2 (0.42) MEN1KMT2APTGDR2EPHX2
SCHEMBL4119264 0.81 CNR1 (0.42) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2202674 0.80 PTGDR2 (0.40) PTGDR2PSEN1PSEN2APH1BNCSTN

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-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 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
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 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 (4 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HCRTR1 3833/4885HCRTR2 3276/4885LMNA 2964/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 HCRTR1 3833/4885HCRTR2 3276/4885LMNA 2964/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 HCRTR1 3833/4885HCRTR2 3276/4885LMNA 2964/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 HCRTR1 212/4885HCRTR2 291/4885LMNA 1324/4885

“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.