SCHEMBL6080100

SCHEMBL6080100

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
PKM P14618 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
MMP8 P22894 1/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32
PPARA Q07869 1/20 0.32
THRB P10828 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
SCHEMBL28164782 0.85 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL3867013 0.77 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL7565591 0.77 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL634973 0.75 ALOX15 (0.46) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL28242894 0.73 MEN1 (0.53) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL28242892 0.73 MEN1 (0.53) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL535883 0.72 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRALOX15
Ethane SCHEMBL20528159 0.72 MEN1 (0.52) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL6080658 0.72 MEN1 (0.38) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL6081528 0.70 MEN1 (0.36) MEN1KMT2AALDH1A1TSHRALOX15

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 3723/4885ALDH1A1 2553/4885

“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.