SCHEMBL1928159

SCHEMBL1928159

CS(=O)(=O)OC1CCN(C2CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
CYP2D6 P10635 1/20 0.31
CHRM2 P08172 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
SCHEMBL20503412 0.88 KDM4E (0.39) KDM4EALDH1A1HRH3CYP2D6CHRM2
SCHEMBL986268 0.81 HRH3 (0.43) KDM4EALDH1A1HRH3CYP2D6
SCHEMBL3272691 0.81 HRH3 (0.40) KDM4EALDH1A1HRH3CYP2D6CHRM2
SCHEMBL29866157 0.79 ALDH1A1 (0.41) KDM4EALDH1A1HRH3
SCHEMBL29865992 0.77 ALDH1A1 (0.40) KDM4EALDH1A1HRH3
SCHEMBL11461060 0.77 CA1 (0.36) KDM4EALDH1A1CHRM2
SCHEMBL11470571 0.77 CA1 (0.36) KDM4EALDH1A1CHRM2
SCHEMBL1928299 0.76 CHRM4 (0.38) ALDH1A1HRH3CYP2D6
SCHEMBL1108992 0.76 CHRM4 (0.38) ALDH1A1HRH3CYP2D6
SCHEMBL8487018 0.74 HRH3 (0.32) HRH3

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
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 KDM4E 665/4885ALDH1A1 229/4885HRH3 159/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 KDM4E 630/4885ALDH1A1 52/4885HRH3 1028/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 KDM4E 665/4885ALDH1A1 229/4885HRH3 159/4885

“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.