SCHEMBL741459

SCHEMBL741459

O=C(O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 8/20 0.64
PPARG P37231 6/20 0.64
PPARA Q07869 4/20 0.64
PPARD Q03181 4/20 0.64
CCR2 P41597 2/20 0.61
BCL2 P10415 1/20 0.56
BID P55957 1/20 0.56
MCL1 Q07820 1/20 0.56
NOD2 Q9HC29 1/20 0.52
NOD1 Q9Y239 1/20 0.52
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL6959898 0.92 ACLY (0.61) ACLYPPARGPPARAPPARDCCR2
SCHEMBL3837213 0.89 PPARG (0.61) ACLYPPARGPPARAPPARDCCR2
SCHEMBL22003888 0.89 ACLY (0.67) ACLYPPARGPPARAPPARDCCR2
SCHEMBL13802522 0.86 CCR2 (0.76) ACLYPPARGPPARAPPARDCCR2
SCHEMBL12450031 0.86 PPARG (0.58) ACLYPPARGPPARAPPARDCCR2
SCHEMBL16486105 0.86 NOD2 (0.58) ACLYPPARGPPARAPPARDCCR2
SCHEMBL6953098 0.85 CCR2 (0.75) ACLYPPARGPPARAPPARDCCR2
SCHEMBL3137788 0.85 ACLY (0.63) ACLYPPARGPPARAPPARDCCR2
SCHEMBL4121234 0.84 CCR2 (0.72) CCR2BCL2BIDMCL1NOD2
SCHEMBL31599460 0.84 CCR2 (0.72) CCR2BCL2BIDMCL1NOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
CN-1293057-C Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-03 CN disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
CN-1438993-A Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2003-08-27 CN disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 ACLY 965/4885PPARG 3269/4885PPARA 3231/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 ACLY 965/4885PPARG 3269/4885PPARA 3231/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 ACLY 1291/4885PPARG 4469/4885PPARA 4276/4885

“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.