SCHEMBL4027434

SCHEMBL4027434

Cc1ccc(S(=O)(=O)n2ccc3c(I)c4cccnc4n3c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
POLB P06746 1/20 0.43
ALDH3A1 P30838 1/20 0.43
HTT P42858 1/20 0.43
NOD1 Q9Y239 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PKM P14618 1/20 0.41
CYP2C19 P33261 2/20 0.41
MET P08581 2/20 0.41
RAPGEF4 Q8WZA2 2/20 0.40
KDM4E B2RXH2 1/20 0.39
UBE2N P61088 1/20 0.39
CYP19A1 P11511 2/20 0.39
COMT P21964 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
HSD11B1 P28845 1/20 0.37
ENPP3 O14638 1/20 0.36

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
SCHEMBL4033281 0.76 L3MBTL1 (0.65) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL13302164 0.74 L3MBTL1 (0.59) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL4029234 0.74 KMT2A (0.49) L3MBTL1POLBHTTPKMKDM4E
SCHEMBL3616325 0.72 MET (0.76) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL30711140 0.72 MET (0.76) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL30365350 0.72 L3MBTL1 (1.00) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL4532804 0.72 L3MBTL1 (1.00) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL1714526 0.72 L3MBTL1 (1.00) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL1778719 0.71 PTGDR2 (0.57) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL12657360 0.71 L3MBTL1 (0.58) L3MBTL1POLBALDH3A1HTTNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 EP disclosed
EP-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 EP disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 US disclosed
US-20040058939-A1 Derivatives of variolin b PHARMA MAR, S.A. (ES) 2004-03-25 US disclosed
EP-1307454-A1 DERIVATIVES OF VARIOLIN B Universidad de Barcelona (ES) 2003-05-07 EP disclosed
WO-2002012240-A1 DERIVATIVES OF VARIOLIN B UNIVERSIDAD DE BARCELONA (ES) 2002-02-14 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 (2 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-20080033001-A1 Derivatives of Variolin B ARG2, SDHB, OAT L3MBTL1 609/4885POLB 1449/4885ALDH3A1 946/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP L3MBTL1 504/4885POLB 1365/4885ALDH3A1 851/4885

“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.