SCHEMBL4026024

SCHEMBL4026024

CCOC(CCCc1ccc(OCc2ccccc2)cc1)S(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
EPHX2 P34913 1/20 0.56
MGLL Q99685 2/20 0.51
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
ALOX5 P09917 2/20 0.48
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
BCHE P06276 5/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MMP12 P39900 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4029067 0.80 FFAR1 (0.61) PPARAPPARGPPARDFFAR1
SCHEMBL4032713 0.76 PPARG (0.48) PPARAPPARGPPARDFFAR1
SCHEMBL28176410 0.75 LTA4H (0.65) LTA4HEPHX2ALOX5FFAR1FFAR4
SCHEMBL4029330 0.75 BCHE (0.49) LTA4HEPHX2MGLLPPARAPPARG
SCHEMBL30407291 0.75 LTA4H (0.60) LTA4HEPHX2PPARAPPARGALOX5
SCHEMBL8577180 0.74 MGLL (0.72) LTA4HEPHX2MGLLALOX5FFAR1
SCHEMBL6713184 0.74 LMNA (0.57) LTA4HEPHX2PPARAPPARGPPARD
SCHEMBL10756298 0.74 LTA4H (0.58) LTA4HEPHX2MGLLPPARAPPARG
SCHEMBL6752149 0.73 MGLL (0.75) LTA4HEPHX2MGLLALOX5FFAR1
SCHEMBL4030641 0.73 BCHE (0.56) LTA4HEPHX2PPARAPPARGPPARD

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-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US claimed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP claimed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO claimed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP disclosed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US disclosed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 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-20060142277-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 LTA4H 575/4885EPHX2 2045/4885MGLL 186/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 LTA4H 575/4885EPHX2 2045/4885MGLL 186/4885

“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.