SCHEMBL3904188

SCHEMBL3904188

C=CCOC(=O)/C(C#N)=C1\SCC(=O)N1CC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.50
▸ KMT2A Q03164 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ DHODH Q02127 8/20 0.40
▸ MAPK1 P28482 4/20 0.40
▸ USP2 O75604 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ PTP4A3 O75365 1/20 0.34
▸ PTP4A1 Q93096 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL3904192 1.00 PLK1 (0.50) PLK1KMT2AMAPTMEN1HSD17B10
SCHEMBL12307052 0.88 NPSR1 (0.44) PLK1KMT2AMAPTMEN1HSD17B10
SCHEMBL12307050 0.87 MEN1 (0.41) PLK1KMT2AMAPTMEN1HSD17B10
SCHEMBL3905980 0.86 MAPT (0.48) KMT2AMAPTMEN1HSD17B10DHODH
SCHEMBL6086787 0.84 MAPT (0.46) PLK1KMT2AMAPTMEN1HSD17B10
SCHEMBL6086794 0.84 MAPT (0.46) PLK1KMT2AMAPTMEN1HSD17B10
SCHEMBL6087576 0.81 MEN1 (0.46) PLK1KMT2AMAPTMEN1HSD17B10
SCHEMBL13537423 0.81 MAPK1 (0.36) PLK1KMT2AMAPTMEN1HSD17B10
SCHEMBL5174362 0.78 MAPT (0.54) KMT2AMAPTMEN1HSD17B10DHODH
SCHEMBL5174367 0.78 MAPT (0.54) KMT2AMAPTMEN1HSD17B10DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511059-B2 Thiazolidinones, their production and use as pharmaceutical agents SCHERING AG (DE) 2009-03-31 — — US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 — — US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 — — US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 — — US disclosed
US-20070010566-A1 Thiazolidinones without basic nitrogen, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-11 — — US disclosed
US-20070010566-A1 Thiazolidinones without basic nitrogen, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-11 — — US disclosed
US-20070010565-A1 New thiazolidinones without basic nitrogen, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-11 — — US disclosed
US-20070010565-A1 New thiazolidinones without basic nitrogen, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-11 — — US disclosed
US-20060223833-A1 Thiazolidinones, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-05 — — 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 (5 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-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases PLK2, PLK4, PDXK PLK1 52/4885KMT2A 849/4885MAPT 3341/4885
US-20060223833-A1 Thiazolidinones, their production and use as pharmaceutical agents PLK2, PLK4, PLK3 PLK1 12/4885KMT2A 3600/4885MAPT 882/4885
US-20070010566-A1 Thiazolidinones without basic nitrogen, their production and use as pharmaceutical agents PLK4, PLK2, PLK3 PLK1 24/4885KMT2A 3304/4885MAPT 225/4885
US-20070010565-A1 New thiazolidinones without basic nitrogen, their production and use as pharmaceutical agents PLK4, PLK2, PLK3 PLK1 28/4885KMT2A 4208/4885MAPT 796/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 PLK1 18/4885KMT2A 2543/4885MAPT 753/4885

“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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