SCHEMBL2314828

SCHEMBL2314828

CCCCCS(=O)(=O)c1cnn2ccc(CO)nc12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.32
TXNRD1 Q16881 4/20 0.32
GSR P00390 1/20 0.32
EPHX2 P34913 1/20 0.31
SOAT1 P35610 4/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
THRA P10827 1/20 0.30

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
SCHEMBL2359117 0.82 KDM4E (0.34) THRBTXNRD1GSREPHX2THRA
SCHEMBL2245083 0.74 SMPD3 (0.42) IRAK4
SCHEMBL2322469 0.71 THRB (0.34) THRBEPHX2THRA
SCHEMBL2319946 0.68 ALOX5AP (0.35) EPHX2
SCHEMBL1194725 0.66 HTR6 (0.44)
SCHEMBL3433516 0.66 KDM4E (0.54)
SCHEMBL2249258 0.65 THRB (0.37) THRBTXNRD1GSR
SCHEMBL3468590 0.62 DYRK1A (0.35) THRBTXNRD1GSR
SCHEMBL23728480 0.61 NR4A3 (0.43) IRAK4
SCHEMBL12360248 0.59 FAAH (0.43) THRBTXNRD1GSREPHX2SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351756-A1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOF Ivashchenko, Andrey Alexandrovich (RU) 2011-08-03 EP claimed
US-20110178078-A1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-07-21 US claimed
EP-3020719-A1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOFAND METHODS FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2016-05-18 EP disclosed
US-8618114-B2 Substituted 3-arylsulfonyl-pyrazolo[1,5-A]pyrimidines, serotonin 5-HT6 receptor antagonists and methods for the production and use thereof IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2013-12-31 US disclosed
EP-2351756-A1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOF Ivashchenko, Andrey Alexandrovich (RU) 2011-08-03 EP disclosed
US-20110178078-A1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-07-21 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 (1 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-20110178078-A1 SUBSTITUTED 3-ARYLSULFONYL-PYRAZOLO[1,5-A]PYRIMIDINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS AND METHODS FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3A THRB 711/4885TXNRD1 1606/4885GSR 913/4885

“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.