SCHEMBL947656

SCHEMBL947656

CC(C)N=C1SCC(=O)N1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
S1PR3 Q99500 5/20 0.50
S1PR1 P21453 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GFER P55789 1/20 0.46
EGFR P00533 1/20 0.45
KDR P35968 1/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL947654 1.00 ALDH1A1 (0.54) ALDH1A1L3MBTL1S1PR3S1PR1MEN1
SCHEMBL944202 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1S1PR3S1PR1MEN1
SCHEMBL944204 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1S1PR3S1PR1MEN1
SCHEMBL944222 0.85 ALDH1A1 (0.50) ALDH1A1L3MBTL1S1PR3S1PR1MEN1
SCHEMBL944221 0.85 ALDH1A1 (0.50) ALDH1A1L3MBTL1S1PR3S1PR1MEN1
SCHEMBL1409248 0.84 HSP90AA1 (0.53) ALDH1A1L3MBTL1S1PR3S1PR1MEN1
SCHEMBL944065 0.84 KMT2A (0.62) ALDH1A1L3MBTL1S1PR3S1PR1MEN1
SCHEMBL944066 0.84 KMT2A (0.62) ALDH1A1L3MBTL1S1PR3S1PR1MEN1
SCHEMBL1409250 0.84 HSP90AA1 (0.53) ALDH1A1L3MBTL1S1PR3S1PR1MEN1
SCHEMBL944350 0.82 L3MBTL1 (0.67) ALDH1A1L3MBTL1S1PR3S1PR1MEN1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912340-B2 Process for the preparation of 2-imino-thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-12-16 US claimed
EP-2094676-B1 NEW PROCESS FOR THE PREPARATION OF 2-IMINOTHIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP claimed
US-20120302758-A1 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES VANDA PHARMACEUTICALS INC. 2012-11-29 US claimed
EP-2489662-A1 New process for the preparation of 2-imino-thiazolidin-4-one derivatives Actelion Pharmaceuticals Ltd. (CH) 2012-08-22 EP claimed
US-20110201821-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATES VANDA PHARMACEUTICALS INC. 2011-08-18 US claimed
US-20100317867-A1 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-16 US claimed
JP-2010510976-A 2010-04-08 JP claimed
EP-2094676-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP claimed
WO-2008062376-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-29 WO claimed
US-9000018-B2 Thiazolidin-4-one-derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2015-04-07 US disclosed
US-8912340-B2 Process for the preparation of 2-imino-thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-12-16 US disclosed
US-RE45174-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 US disclosed
EP-2489662-B1 Intermediates of a new process for the preparation of 5-benzylidene-2-alkylimino-3-phenylthiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD (CH) 2014-08-06 EP disclosed
US-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-21 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
WO-2008062376-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-29 WO 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-20100317867-A1 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES IL4, IL15, IL2 ALDH1A1 1222/4885L3MBTL1 4830/4885S1PR3 3399/4885
US-20130310432-A1 NOVEL THIAZOLIDIN-4-ONE-DERIVATIVES TLR4, IRF3, IL4 ALDH1A1 783/4885L3MBTL1 4262/4885S1PR3 2388/4885
US-20110201821-A2 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATES IL4, IL2, IL15 ALDH1A1 1004/4885L3MBTL1 4786/4885S1PR3 3539/4885
US-20070082933-A1 Novel thiazolidin-4-one derivatives TLR4, IL4, IRF3 ALDH1A1 671/4885L3MBTL1 4211/4885S1PR3 2136/4885
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 755/4885L3MBTL1 3742/4885S1PR3 1293/4885
US-20120302758-A1 NEW PROCESS FOR THE PREPARATION OF 2-IMINO-THIAZOLIDIN-4-ONE DERIVATIVES IL4, IL15, IL2 ALDH1A1 1222/4885L3MBTL1 4830/4885S1PR3 3399/4885

“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.