SCHEMBL5174367

SCHEMBL5174367

CCN1C(=O)CSC1=C(C#N)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ DHODH Q02127 8/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 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
SCHEMBL5174362 1.00 MAPT (0.54) MAPTMEN1KMT2AHSD17B10DHODH
SCHEMBL6086794 0.81 MAPT (0.46) MAPTMEN1KMT2AHSD17B10DHODH
SCHEMBL6086787 0.81 MAPT (0.46) MAPTMEN1KMT2AHSD17B10DHODH
SCHEMBL6086606 0.80 MEN1 (0.59) MAPTMEN1KMT2AHSD17B10DHODH
SCHEMBL3904188 0.78 PLK1 (0.50) MAPTMEN1KMT2AHSD17B10DHODH
SCHEMBL13488663 0.78 MEN1 (0.54) MAPTMEN1KMT2AHSD17B10DHODH
SCHEMBL6087576 0.76 MEN1 (0.46) MAPTMEN1KMT2AHSD17B10DHODH
SCHEMBL6087108 0.73 MEN1 (0.62) MAPTMEN1KMT2AHSD17B10DHODH
SCHEMBL6087023 0.70 MAPT (0.49) MAPTMEN1KMT2ADHODHMAPK1
SCHEMBL6087029 0.70 MAPT (0.49) MAPTMEN1KMT2ADHODHMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060079503-A1 Thiazolidinones and the use therof as polo-like kinase inhibitors SCHERING AKTIENGESELLSCHAFT 2006-04-13 — — 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 (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-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 MAPT 3341/4885MEN1 3850/4885KMT2A 849/4885
US-20060079503-A1 Thiazolidinones and the use therof as polo-like kinase inhibitors PLK4, PLK2, PLK3 MAPT 1138/4885MEN1 3800/4885KMT2A 3723/4885

“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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