SCHEMBL1928309

SCHEMBL1928309

Cc1ccc(S(=O)(=O)Oc2ccc(Br)c(OCCN3CCCCC3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.53
HRH3 Q9Y5N1 7/20 0.52
KCNH2 Q12809 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ENPP3 O14638 2/20 0.45
MAPK14 Q16539 1/20 0.43

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
SCHEMBL7281753 0.80 GAA (0.52) L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2278652 0.79 MEN1 (0.47) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL31254060 0.79 MEN1 (0.47) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL3966984 0.76 CA12 (0.45) SMN1; SMN2KDM4EL3MBTL1MEN1KMT2A
SCHEMBL2133031 0.76 PTPN1 (0.52) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2491906 0.76 MBTD1 (0.54) ENPP1HRH3KCNH2SMN1; SMN2L3MBTL1
SCHEMBL1929030 0.76 LTA4H (0.50) HRH3SMN1; SMN2KDM4EL3MBTL1
SCHEMBL4141829 0.75 AR (0.49) SMN1; SMN2KDM4EL3MBTL1MEN1KMT2A
SCHEMBL19733679 0.74 MBTD1 (0.55) ENPP1HRH3KCNH2SMN1; SMN2L3MBTL1
SCHEMBL11471531 0.74 MBTD1 (0.50) ENPP1HRH3KCNH2SMN1; SMN2L3MBTL1

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 ENPP1 2198/4885HRH3 159/4885KCNH2 1660/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 ENPP1 1726/4885HRH3 1028/4885KCNH2 2527/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 ENPP1 2198/4885HRH3 159/4885KCNH2 1660/4885

“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.