SCHEMBL945348

SCHEMBL945348

C=CCOCCOc1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL9712098 0.98 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL9712009 0.98 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL10843119 0.92 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8371513 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL268446 0.83 CA12 (0.55) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL851166 0.83 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL14004238 0.82 RARB (0.41) ALDH1A1SMN1; SMN2MAPTKDM4ECA12
SCHEMBL9457868 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL3699371 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL10329386 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000018-B2 Thiazolidin-4-one-derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2015-04-07 US disclosed
US-RE45174-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 US disclosed
US-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-21 US disclosed
US-8524752-B2 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-03 US disclosed
US-20120302612-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES VANDA PHARMACEUTICALS INC. 2012-11-29 US disclosed
US-RE43833-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-11-27 US disclosed
US-RE43728-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-09 US disclosed
US-8273779-B2 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one; {2-[4-(2-([Z]-isopropylimino)-4-oxo-3-phenyl-thiazolidin-5-[Z]-ylidenemethyl)-phenoxy]-ethoxy}-acetic acid; immunosuppressant agents; multiple sclerosis, psoriasis ACTELION PHARMACEUTICALS LTD. (CH) 2012-09-25 US disclosed
EP-2295418-A1 5-(benz-(z)-ylidene)-thiazolidin-4-one derivatives as immunosuppressant agents Actelion Pharmaceuticals Ltd. (CH) 2011-03-16 EP disclosed
US-7875726-B2 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-25 US disclosed
EP-1689726-B1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-06 EP disclosed
US-7626037-B2 5-Benzylidene-2-imino- or hydrazonothiazolidin-4-one derivatives, e.g., 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one and 2-(dimethyl-hydrazono)-5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-3-phenyl-thiazolidin-4-one; immunosuppressant agents ACTELION PHARMACEUTICALS LTD. (CH) 2009-12-01 US disclosed
US-20090275625-A1 NOVEL THIAZOLIDIN 4-ONE DERIVATIVES VANDA PHARMACEUTICALS INC. 2009-11-05 US disclosed
US-20080280962-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-11-13 US disclosed
US-7435828-B2 immunosuppressive agents; low dosages; 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-o-tolyl-thiazolidin-4-one ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-20080146629-A1 5-Benzylidene-2-imino- or hydrazonothiazolidin-4-one derivatives, e.g., 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one and 2-(dimethyl-hydrazono)-5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-3-phenyl-thiazolidin-4-one; immunosuppressant agents ACTELION PHARMACEUTICALS, LTD. (CH) 2008-06-19 US disclosed
US-20070082933-A1 Novel thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS, LTD. 2007-04-12 US disclosed
EP-1689726-A1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS Actelion Pharmaceuticals Ltd. (CH) 2006-08-16 EP disclosed
WO-2005054215-A1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2005-06-16 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 (6 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-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES TLR4, IRF3, IL4 ALDH1A1 783/4885SMN1; SMN2 4783/4885MAPT 2746/4885
US-20070082933-A1 Novel thiazolidin-4-one derivatives TLR4, IL4, IRF3 ALDH1A1 671/4885SMN1; SMN2 4755/4885MAPT 2981/4885
US-20090275625-A1 NOVEL THIAZOLIDIN 4-ONE DERIVATIVES TLR4, IRF3, TLR1 ALDH1A1 835/4885SMN1; SMN2 4809/4885MAPT 2991/4885
US-20080146629-A1 5-Benzylidene-2-imino- or hydrazonothiazolidin-4-one derivatives, e.g., 5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-2-([Z]-isopropylimino)-3-phenyl-thiazolidin-4-one and 2-(dimethyl-hydrazono)-5-[4-(2-hydroxy-ethoxy)-benz[Z]ylidene]-3-phenyl-thiazolidin-4-one; immunosuppressant agents ICOS, IL2, IKZF3 ALDH1A1 755/4885SMN1; SMN2 4424/4885MAPT 3874/4885
US-20120302612-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES TLR4, IL4, IRF3 ALDH1A1 671/4885SMN1; SMN2 4755/4885MAPT 2981/4885
US-20080280962-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES TLR4, IL4, IRF3 ALDH1A1 671/4885SMN1; SMN2 4755/4885MAPT 2981/4885

“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.