SCHEMBL1546540

SCHEMBL1546540

CCOc1cc(Cl)c(S(=O)(=O)NC(C)(C)C)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
TSHR P16473 3/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CISD1 Q9NZ45 2/20 0.42
WDR5 P61964 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RCE1 Q9Y256 1/20 0.40
ACLY P53396 1/20 0.39

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
SCHEMBL1546453 0.89 POLB (0.42) TSHRHSD17B10ALDH1A1POLBMEN1
SCHEMBL4001211 0.88 CA1 (0.45) TSHRHSD17B10ALDH1A1POLBMEN1
SCHEMBL1546383 0.82 TSHR (0.49) ATMTSHRHSD17B10ALDH1A1POLB
SCHEMBL1546532 0.82 TSHR (0.49) ATMTSHRHSD17B10POLBCISD1
SCHEMBL13544481 0.77 ATM (0.48) ATMTSHRHSD17B10ALDH1A1POLB
SCHEMBL4001519 0.74 HTT (0.43) TSHRALDH1A1KMT2ATDP1LMNA
SCHEMBL4001967 0.74 KMT2A (0.51) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL8239556 0.73 KDM4E (0.40) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL4003078 0.72 CA1 (0.45) ATMALDH1A1POLBMEN1KMT2A
SCHEMBL4004370 0.72 LMNA (0.43) TSHRHSD17B10ALDH1A1MEN1KMT2A

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-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
WO-2014082889-A1 NOVEL IMIDAZOLINES AS DUAL INHIBITORS OF MDM2 AND MDMX F. HOFFMANN-LA ROCHE AG (CH) 2014-06-05 WO disclosed
US-20140148443-A1 Novel Imidazolines as dual inhibitors of MDM2 and MDMX HOFFMANN-LA ROCHE INC. (US) 2014-05-29 US 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
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
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 (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-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines RPS4X, RPS4Y1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ATM 2154/4885TSHR 761/4885HSD17B10 3554/4885
US-20140148443-A1 Novel Imidazolines as dual inhibitors of MDM2 and MDMX MDM2, MDM4, TP53 ATM 470/4885TSHR 2816/4885HSD17B10 4365/4885

“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.