SCHEMBL4801412

SCHEMBL4801412

N#CC(SC(=O)SC(C#N)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
TRPA1 O75762 1/20 0.42
LMNA P02545 6/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2D6 P10635 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
SRC P12931 1/20 0.40
MAPK1 P28482 1/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
ALPG P10696 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC3 O15379 1/20 0.35

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
SCHEMBL3055865 0.85 ALDH1A1 (0.45) TSHRTRPA1LMNAALDH1A1HPGD
SCHEMBL8442402 0.80 TSHR (0.40) TSHRTRPA1LMNAALDH1A1HPGD
SCHEMBL6690642 0.80 TSHR (0.47) TSHRTRPA1LMNAALDH1A1HPGD
SCHEMBL4801466 0.77 TSHR (0.44) TSHRTRPA1LMNAALDH1A1HPGD
SCHEMBL237655 0.77 TSHR (0.44) TSHRTRPA1LMNAALDH1A1HPGD
SCHEMBL28515424 0.76 TSHR (0.50) TSHRTRPA1LMNAALDH1A1HPGD
SCHEMBL9493266 0.72 TSHR (0.46) TSHRTRPA1LMNAALDH1A1HPGD
SCHEMBL28929083 0.72 TSHR (0.46) TSHRTRPA1LMNAALDH1A1HPGD
SCHEMBL14293603 0.72 ESR1 (0.39) TSHRTRPA1LMNAALDH1A1HPGD
SCHEMBL4797019 0.72 TSHR (0.39) TSHRTRPA1LMNAALDH1A1HPGD

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-7332552-B2 Low odor chain transfer agents for controlled radical polymerization RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-02-19 US disclosed
US-20070088140-A1 Low odor chain transfer agents for controlled radical polymerization RENSSELAER POLYTECHNIC INSTITUTE 2007-04-19 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-20070088140-A1 Low odor chain transfer agents for controlled radical polymerization TAS2R43, CBR3, OR10J3 TSHR 2315/4885TRPA1 81/4885LMNA 4099/4885

“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.