SCHEMBL1546965

SCHEMBL1546965

CCOc1cc(Cl)cc(S(=O)(=O)Cl)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.43
▸ TSHR P16473 4/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ ACLY P53396 2/20 0.38
▸ HTT P42858 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MCL1 Q07820 1/20 0.35

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
SCHEMBL22000081 0.74 ACLY (0.44) TRPV4TSHRACLYSMN1; SMN2
SCHEMBL1546383 0.73 TSHR (0.49) TRPV4TSHRHSD17B10HTTPOLB
SCHEMBL2703971 0.73 TSHR (0.62) TRPV4TSHRHTTL3MBTL1MAPT
SCHEMBL7798006 0.71 TSHR (0.49) TRPV4TSHRHSD17B10KDM4ELMNA
SCHEMBL6298396 0.70 KDM4E (0.51) TRPV4TSHRHSD17B10KDM4E
SCHEMBL1547213 0.70 KDM4E (0.51) TRPV4TSHRHSD17B10KDM4ELMNA
SCHEMBL9293289 0.69 TSHR (0.50) TSHRHSD17B10HTTPOLBALOX15
SCHEMBL8883339 0.69 PLAU (0.44) TSHRHSD17B10HTTPOLBALOX15
SCHEMBL4850809 0.69 KDM4E (0.50) TSHRHSD17B10POLBGLAL3MBTL1
SCHEMBL1515929 0.69 TSHR (0.59) TSHRHSD17B10HTTPOLBALOX15

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
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
CN-101316823-B 2,4, 5-triphenylimidazoline derivatives as inhibitors of the interaction between p53 and MDM2 proteins for use as anticancer agents HOFFMANN LA ROCHE 2013-05-22 — — CN 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
CN-101316823-A 2,4, 5-triphenylimidazoline derivatives as inhibitors of the interaction between p53 and MDM2 proteins for use as anticancer agents HOFFMANN LA ROCHE (CH) 2008-12-03 — — CN 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 TRPV4 1971/4885TSHR 761/4885HSD17B10 3554/4885
US-20140148443-A1 Novel Imidazolines as dual inhibitors of MDM2 and MDMX MDM2, MDM4, TP53 TRPV4 4193/4885TSHR 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.

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