SCHEMBL6081113

SCHEMBL6081113

CCNC(=S)C(C#N)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.38
CTSK P43235 15/20 0.38
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
MCL1 Q07820 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33

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 0.82 MEN1 (0.37) MCL1
SCHEMBL6081290 0.79 MCL1 (0.34) MCL1
SCHEMBL6081252 0.79 MCL1 (0.34) MCL1
SCHEMBL13239370 0.74 SMN1; SMN2 (0.41)
SCHEMBL6081292 0.72 MCL1 (0.36) MCL1
SCHEMBL2975034 0.72 CTSK (0.33) CTSSCTSKCTSLCTSB
SCHEMBL6939950 0.69 IDO1 (0.47)
SCHEMBL2389781 0.68 CA1 (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL3008867 0.68 CA1 (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL27911439 0.68 MEN1 (0.34) CTSSCTSKCTSLCTSB

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 1 patent. 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

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 CTSS 1869/4885CTSK 530/4885CTSL 966/4885

“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.