SCHEMBL6080759

SCHEMBL6080759

CCNC(=S)C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
NTRK1 P04629 1/20 0.47
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 6/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP8 P22894 1/20 0.35
ALOX15 P16050 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SOAT1 P35610 1/20 0.34
CYP2D6 P10635 1/20 0.34
EGLN1 Q9GZT9 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
SCHEMBL3207826 0.76 MEN1 (0.37) AURKANTRK1MGAMGAASI
SCHEMBL425250 0.74 ALDH1A1 (0.56) AURKANTRK1MGAMGAASI
SCHEMBL3086153 0.71 ALDH1A1 (0.53) AURKANTRK1MGAMGAASI
SCHEMBL6080764 0.70 MAPT (0.38) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL662792 0.67 ALDH1A1 (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL149187 0.67
SCHEMBL28163656 0.67 ALDH1A1 (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL26302 0.67 ALDH1A1 (0.52) AURKANTRK1MGAMGAASI
SCHEMBL465284 0.67
SCHEMBL123766 0.67 ALDH1A1 (0.52) AURKANTRK1MGAMGAASI

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-20060079503-A1 Thiazolidinones and the use therof as polo-like kinase inhibitors SCHERING AKTIENGESELLSCHAFT 2006-04-13 US disclosed
EP-1501794-A1 THIAZOLIDINONES AND THE USE THEREOF AS POLO-LIKE KINASE INHIBITORS Schering Aktiengesellschaft (DE) 2005-02-02 EP disclosed
WO-2003093249-A1 THIAZOLIDINONES AND THE USE THEREOF AS POLO-LIKE KINASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-11-13 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 (1 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-20060079503-A1 Thiazolidinones and the use therof as polo-like kinase inhibitors PLK4, PLK2, PLK3 AURKA 108/4885NTRK1 843/4885MGAM 3612/4885

“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.