SCHEMBL1547097

SCHEMBL1547097

CCOc1cc(S(=O)(=O)Cl)ccc1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 9/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
RCE1 Q9Y256 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
XBP1 P17861 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
WDR5 P61964 1/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 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
SCHEMBL6990976 0.89 SMN1; SMN2 (0.53) TDP1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL16908533 0.85 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL3996431 0.83 TDP1 (0.54) TDP1ALDH1A1TSHRMAPTHTT
SCHEMBL1546962 0.81 TDP1 (0.52) TDP1ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL29541454 0.80 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2MAPTKDM4E
SCHEMBL1546948 0.79 ALDH1A1 (0.64) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL2564265 0.78 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2MAPTLMNA
SCHEMBL20471165 0.78 S1PR3 (0.48) ALDH1A1TSHRSMN1; SMN2MAPTKDM4E
SCHEMBL4897962 0.78 ALDH1A1 (0.51) TDP1ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL16908508 0.77 KDM4E (0.45) ALDH1A1TSHRSMN1; SMN2MAPTKDM4E

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-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
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
US-7579368-B2 Cis-imidazolines HOFFMAN-LA ROCHE INC. (US) 2009-08-25 US 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
EP-1861376-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F. Hoffmann-Roche AG (CH) 2007-12-05 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
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed
US-20060211693-A1 Cis-imidazolines FOTOUHI NADER 2006-09-21 US 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-20060211693-A1 Cis-imidazolines TP53, MDM2, CDC25C TDP1 559/4885ALDH1A1 3030/4885TSHR 2239/4885
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 TDP1 1653/4885ALDH1A1 1342/4885TSHR 761/4885

“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.