SCHEMBL1546461

SCHEMBL1546461

CCOc1cc(OC)c(S(=O)(=O)N2CCCC2)cc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.59
ALDH1A1 P00352 5/20 0.59
GAA P10253 2/20 0.59
NPBWR1 P48145 1/20 0.59
POLB P06746 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 2/20 0.51
THRB P10828 1/20 0.50
HTT P42858 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL4004183 0.91 TSHR (0.60) TSHRALDH1A1GAANPBWR1POLB
SCHEMBL1547291 0.88 ALDH1A1 (0.56) TSHRALDH1A1POLBKMT2AMEN1
SCHEMBL8260674 0.85 TSHR (0.53) TSHRALDH1A1GAANPBWR1POLB
SCHEMBL5506579 0.83 KDM4E (0.58) TSHRALDH1A1GAANPBWR1POLB
SCHEMBL1547061 0.80 TDP1 (0.46) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL1546948 0.80 ALDH1A1 (0.64) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL4001104 0.80 KDM4E (0.69) TSHRALDH1A1POLBKMT2AMEN1
SCHEMBL3998128 0.79 KDM4E (0.71) TSHRALDH1A1POLBKMT2AMEN1
SCHEMBL3999221 0.79 ALDH1A1 (0.62) TSHRALDH1A1POLBKMT2AMEN1
SCHEMBL4006356 0.78 ALDH1A1 (0.61) TSHRALDH1A1POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960368-B1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2015-05-06 EP disclosed
EP-1960368-B1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS HOFFMANN LA ROCHE (CH) 2015-05-06 EP disclosed
EP-2311814-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between P53 and MDM2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2011-04-20 EP disclosed
EP-2311814-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between P53 and MDM2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2011-04-20 EP disclosed
US-7851626-B2 4,4,5,5, tetrasubstituted imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
US-7851626-B2 4,4,5,5, tetrasubstituted imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
US-7851626-B2 4,4,5,5, tetrasubstituted imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
EP-2130822-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between p53 and mdm2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2009-12-09 EP disclosed
EP-2130822-A1 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between p53 and mdm2 proteins for use as anticancer agents F. Hoffmann-La Roche AG (CH) 2009-12-09 EP disclosed
EP-1960368-A1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS F. Hoffmann-la Roche AG (CH) 2008-08-27 EP disclosed
US-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines DING QINGJIE 2007-06-07 US disclosed
US-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines DING QINGJIE 2007-06-07 US disclosed
US-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines DING QINGJIE 2007-06-07 US disclosed
WO-2007063013-A1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
WO-2007063013-A1 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 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 (1 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-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines RPS4X, RPS4Y1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TSHR 761/4885ALDH1A1 1342/4885GAA 2766/4885

“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.