SCHEMBL945884

SCHEMBL945884

Cc1ccc(N2C(=O)CSC2=NC(C)C)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
S1PR1 P21453 2/20 0.50
S1PR3 Q99500 2/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
PKM P14618 1/20 0.49
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL945882 1.00 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2S1PR1S1PR3
SCHEMBL944065 0.82 KMT2A (0.62) ALDH1A1S1PR1S1PR3KMT2AMEN1
SCHEMBL944066 0.82 KMT2A (0.62) ALDH1A1S1PR1S1PR3KMT2AMEN1
SCHEMBL944202 0.81 ALDH1A1 (0.53) ALDH1A1S1PR1S1PR3KMT2AMEN1
SCHEMBL944204 0.81 ALDH1A1 (0.53) ALDH1A1S1PR1S1PR3KMT2AMEN1
SCHEMBL1409248 0.79 HSP90AA1 (0.53) ALDH1A1S1PR1S1PR3KMT2AMEN1
SCHEMBL1409250 0.79 HSP90AA1 (0.53) ALDH1A1S1PR1S1PR3KMT2AMEN1
SCHEMBL947654 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2S1PR1S1PR3KMT2A
SCHEMBL947656 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2S1PR1S1PR3KMT2A
SCHEMBL944608 0.75 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2S1PR1S1PR3

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 783/4885HPGD 1302/4885SMN1; SMN2 4783/4885
US-20070082933-A1 Novel thiazolidin-4-one derivatives TLR4, IL4, IRF3 ALDH1A1 671/4885HPGD 1505/4885SMN1; SMN2 4755/4885
US-20090275625-A1 NOVEL THIAZOLIDIN 4-ONE DERIVATIVES TLR4, IRF3, TLR1 ALDH1A1 835/4885HPGD 1375/4885SMN1; SMN2 4809/4885
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 755/4885HPGD 362/4885SMN1; SMN2 4424/4885
US-20120302612-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES TLR4, IL4, IRF3 ALDH1A1 671/4885HPGD 1505/4885SMN1; SMN2 4755/4885
US-20080280962-A1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES TLR4, IL4, IRF3 ALDH1A1 671/4885HPGD 1505/4885SMN1; SMN2 4755/4885

“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.