SCHEMBL2563706

SCHEMBL2563706

O=C(COCC1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.45
BDKRB1 P46663 1/20 0.45
THRB P10828 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
HTR7 P34969 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1E P28566 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 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
SCHEMBL2567382 0.87 LMNA (0.58) ALDH1A1TSHRRAB9AGAAKMT2A
SCHEMBL2570681 0.86 TSHR (0.49) TSHRBDKRB1KMT2AMEN1HTR7
SCHEMBL2567148 0.84 HTR7 (0.54) TSHRBDKRB1THRBKMT2AMEN1
SCHEMBL2568310 0.84 ALDH1A1 (0.57) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL2563882 0.83 TSHR (0.49) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL5088383 0.83 TSHR (0.54) TSHRGAAKMT2AMEN1POLB
SCHEMBL2566099 0.83 HTR7 (0.52) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL2567358 0.83 HTR7 (0.56) TSHRBDKRB1KMT2AMEN1HTR7
SCHEMBL2560456 0.82 LMNA (0.52) ALDH1A1TSHRRAB9AGAAKMT2A
SCHEMBL2571961 0.82 HTR7 (0.47) ALDH1A1TSHRRAB9ABDKRB1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
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-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885TSHR 2684/4885RAB9A 2794/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885TSHR 2684/4885RAB9A 2794/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ALDH1A1 1535/4885TSHR 2684/4885RAB9A 2794/4885

“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.