SCHEMBL6081135

SCHEMBL6081135

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MITF O75030 1/20 0.33
MDM2 Q00987 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 3/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TP53 P04637 1/20 0.32

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) HPGDMEN1KMT2ALMNAALDH1A1
SCHEMBL6080111 0.78 MEN1 (0.36) HPGDKDM4EMEN1KMT2ALMNA
SCHEMBL6081290 0.74 MCL1 (0.34) HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL6081197 0.73 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL9705616 0.73 MEN1 (0.45) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL6080663 0.72 SMYD3 (0.37) HPGDKDM4EMEN1KMT2AALDH1A1
Ethane SCHEMBL20528153 0.71 MEN1 (0.44) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL13516267 0.70 MCL1 (0.42) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL6081538 0.70 ALDH1A1 (0.40) HPGDATMLMNAALDH1A1SMN1; SMN2
SCHEMBL18458829 0.69 ALDH1A1 (0.50) HPGDMAPK1KDM4EMEN1KMT2A

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 HPGD 2453/4885MAPK1 1221/4885KDM4E 4185/4885

“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.