SCHEMBL6080831

SCHEMBL6080831

CCNC(=S)C(C#N)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CTSL P07711 4/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSB P07858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL23091851 0.78 TDP1 (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL12997993 0.75 MEN1 (0.51) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10741256 0.75 TDP1 (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL2989614 0.74 KMT2A (0.47) KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL6081292 0.71 MCL1 (0.36) ALDH1A1MAPT
SCHEMBL3207826 0.71 MEN1 (0.37) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL11251799 0.71 MMP2 (0.40) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL31468333 0.70 PGR (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL9819309 0.70 GAA (0.58) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL30945106 0.69 KMT2A (0.71) PGRADRA2AADRA2BHTR2AHRH1

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 PGR 1203/4885ADRA2A 3559/4885ADRA2B 3365/4885

“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.