SCHEMBL3867013

SCHEMBL3867013

CCOC(=O)C(C#N)(CC)C(N)=S

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 6/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
PKM P14618 3/20 0.33
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.32
THRB P10828 1/20 0.31
CNR2 P34972 1/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL27573610 0.85 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL28740747 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL6081241 0.80 MEN1 (0.31) MEN1KMT2A
SCHEMBL28740742 0.79 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL6080100 0.77 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL6080658 0.71 MEN1 (0.38) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL634973 0.70 ALOX15 (0.46) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL1963 0.70 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL6081528 0.69 MEN1 (0.36) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL28822492 0.69 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRCYP4F2

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 5 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
CN-101155791-A Thiazolidinones for use as inhibitors of polo-like kinase (plk) BAYER SCHERING PHARMA AG (DE) 2008-04-02 CN 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-20060223833-A1 Thiazolidinones, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-05 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 (3 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 MEN1 3850/4885KMT2A 849/4885ALDH1A1 3013/4885
US-20060079503-A1 Thiazolidinones and the use therof as polo-like kinase inhibitors PLK4, PLK2, PLK3 MEN1 3800/4885KMT2A 3723/4885ALDH1A1 2553/4885
US-20060223833-A1 Thiazolidinones, their production and use as pharmaceutical agents PLK2, PLK4, PLK3 MEN1 4624/4885KMT2A 3600/4885ALDH1A1 963/4885

“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.