SCHEMBL6087583

SCHEMBL6087583

CCN1C(=O)CSC1=C(C#N)C(=O)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ DHODH Q02127 8/20 0.42
▸ ALDH1A1 P00352 5/20 0.39
▸ GAA P10253 1/20 0.39
▸ ATM Q13315 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPK1 P28482 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 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
SCHEMBL6087576 1.00 MEN1 (0.46) MEN1KMT2AMAPTHSD17B10DHODH
SCHEMBL3905983 0.84 MAPT (0.48) MEN1KMT2AMAPTHSD17B10DHODH
SCHEMBL3905980 0.84 MAPT (0.48) MEN1KMT2AMAPTHSD17B10DHODH
SCHEMBL6086787 0.82 MAPT (0.46) MEN1KMT2AMAPTHSD17B10DHODH
SCHEMBL6086794 0.82 MAPT (0.46) MEN1KMT2AMAPTHSD17B10DHODH
SCHEMBL3904188 0.81 PLK1 (0.50) MEN1KMT2AMAPTHSD17B10DHODH
SCHEMBL3904192 0.81 PLK1 (0.50) MEN1KMT2AMAPTHSD17B10DHODH
SCHEMBL3353294 0.81 MEN1 (0.54) MEN1KMT2AMAPTHSD17B10DHODH
SCHEMBL13488663 0.81 MEN1 (0.54) MEN1KMT2AMAPTHSD17B10DHODH
SCHEMBL6087217 0.77 MEN1 (0.48) MEN1KMT2AMAPTHSD17B10DHODH

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 MEN1 3800/4885KMT2A 3723/4885MAPT 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.

Send feedback