SCHEMBL4033281

SCHEMBL4033281

Cc1ccc(S(=O)(=O)n2ccc3cc4cccnc4n3c2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.65
RAPGEF4 Q8WZA2 3/20 0.50
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
ENPP3 O14638 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HTT P42858 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL4532804 0.79 L3MBTL1 (1.00) L3MBTL1RAPGEF4PKMCYP2C19ENPP3
SCHEMBL30365350 0.79 L3MBTL1 (1.00) L3MBTL1RAPGEF4PKMCYP2C19ENPP3
SCHEMBL1714526 0.79 L3MBTL1 (1.00) L3MBTL1RAPGEF4PKMCYP2C19ENPP3
SCHEMBL4027434 0.76 L3MBTL1 (0.55) L3MBTL1RAPGEF4PKMCYP2C19ENPP3
SCHEMBL1713506 0.74 L3MBTL1 (0.62) L3MBTL1RAPGEF4PKMCYP2C19ENPP3
SCHEMBL4027701 0.72 ALDH1A1 (0.55) L3MBTL1ENPP3HTTALDH1A1LMNA
SCHEMBL16516428 0.72 L3MBTL1 (0.75) L3MBTL1RAPGEF4PKMCYP2C19ENPP3
SCHEMBL26969526 0.72 L3MBTL1 (0.59) L3MBTL1RAPGEF4PKMCYP2C19ENPP3
SCHEMBL27795367 0.71 L3MBTL1 (0.76) L3MBTL1RAPGEF4PKMCYP2C19ENPP3
SCHEMBL13575362 0.71 L3MBTL1 (0.58) L3MBTL1RAPGEF4PKMCYP2C19ENPP3

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-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 609/4885RAPGEF4 4309/4885PKM 1940/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP L3MBTL1 504/4885RAPGEF4 4280/4885PKM 2647/4885

“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.