SCHEMBL19990190

SCHEMBL19990190

CC(=S)OCCOCCOCCOCCO.N=[N+]=N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.36
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
Triethylene Glycol SCHEMBL20972932 0.79 MEN1 (0.73) MEN1KMT2ATSHRMAPK1THRB
Tetraethylene Glycol SCHEMBL19990177 0.79 MEN1 (0.73) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28699289 0.77
Di(Hydroxyethyl)Ether SCHEMBL28797624 0.76 TSHR (0.71) MEN1KMT2ATSHRMAPK1THRB
Acetic Acid SCHEMBL20913721 0.76 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL15380682 0.74 CA12 (0.33) TSHRALDH1A1CA12CA1CA2
SCHEMBL29250406 0.73 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL29251264 0.73 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL29030859 0.73 TSHR (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL5854805 0.73 CA2 (0.36) TSHRTHRBALDH1A1CYP3A4CA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562863-B2 Heterobifunctional linker THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2020-02-18 US disclosed
US-20180086724-A1 HETEROBIFUNCTIONAL LINKER THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-03-29 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 (2 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-20180086724-A1 HETEROBIFUNCTIONAL LINKER MPI, CYBB, CD2BP2 MEN1 2533/4885KMT2A 2070/4885TSHR 4081/4885
US-10562863-B2 Heterobifunctional linker MPI, CYBB, CD2BP2 MEN1 2533/4885KMT2A 2070/4885TSHR 4081/4885

“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.