SCHEMBL6081252

SCHEMBL6081252

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.34
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3207826 0.83 MEN1 (0.37) MCL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL6081290 0.81 MCL1 (0.34) MCL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3355556 0.80 TSHR (0.33) MCL1KDM4EMEN1ALDH1A1MAPT
SCHEMBL6081113 0.79 CTSS (0.38) MCL1
SCHEMBL6081292 0.73 MCL1 (0.36) MCL1ALDH1A1MAPT
SCHEMBL28556630 0.71 TSHR (0.42) KDM4EALDH1A1MAPTHIF1A
SCHEMBL6080831 0.69 PGR (0.44) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL6080111 0.68 MEN1 (0.36) MCL1KDM4EMEN1ALDH1A1MAPT
SCHEMBL6081135 0.68 HPGD (0.36) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL6081756 0.67 ALDH1A1 (0.42) MCL1ALDH1A1MAPTSMN1; SMN2

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 MCL1 3498/4885CHRNB2 4757/4885CHRNB4 4767/4885

“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.