SCHEMBL6080663

SCHEMBL6080663

CCOC(=O)C(C#N)C(=S)NC1CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 5/20 0.33
GAA P10253 3/20 0.33
CASP6 P55212 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 4/20 0.32
TSHR P16473 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6081538 0.94 ALDH1A1 (0.40) ALDH1A1MAPTHTTGAACASP6
SCHEMBL6080111 0.79 MEN1 (0.36) ALDH1A1MAPTHTTKMT2AGAA
SCHEMBL3207826 0.78 MEN1 (0.37) ALDH1A1MAPTHTTKMT2AGAA
SCHEMBL9705616 0.74 MEN1 (0.45) ALDH1A1MAPTHTTKMT2AGAA
Ethane SCHEMBL20528153 0.72 MEN1 (0.44) ALDH1A1MAPTHTTKMT2AGAA
SCHEMBL6081135 0.72 HPGD (0.36) ALDH1A1MAPTHTTKMT2AGAA
SCHEMBL6986350 0.70 ALDH1A1 (0.37) ALDH1A1MAPTKMT2AGAAPOLB
SCHEMBL18458829 0.70 ALDH1A1 (0.50) ALDH1A1MAPTHTTKMT2AGAA
SCHEMBL31074909 0.69 MEN1 (0.41) ALDH1A1MAPTHTTKMT2AGAA
SCHEMBL3975055 0.69 ALDH1A1 (0.42) ALDH1A1MAPTHTTKMT2AGAA

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
WO-2023096850-A1 PHOSPHOINOSITIDE 3 KINASE GAMMA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF GEODE THERAPEUTICS INC. (US) 2023-06-01 WO disclosed
WO-2023096850-A1 PHOSPHOINOSITIDE 3 KINASE GAMMA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF GEODE THERAPEUTICS INC. (US) 2023-06-01 WO disclosed
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 SMYD3 4022/4885ALDH1A1 2553/4885MAPT 1138/4885

“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.