SCHEMBL3055441

SCHEMBL3055441

CC(CCC(CS(=O)(=O)N1CCN(c2nc(Cc3ccccc3[N+](=O)[O-])ns2)C(C)C1)C(C)CC(C)(C)C)CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL3055687 0.86 PKM (0.37) PKMALDH1A1LMNAPOLBKDM4E
SCHEMBL3063693 0.84 PKM (0.44) PKMALDH1A1LMNAPOLBKDM4E
SCHEMBL3069341 0.83 CNR1 (0.34)
SCHEMBL3062893 0.83 PKM (0.36) PKMALDH1A1LMNAPOLBKDM4E
SCHEMBL3056352 0.82 ACHE (0.36) PKMALDH1A1LMNAPOLBKDM4E
SCHEMBL3051077 0.80 ALDH1A1 (0.39) PKMALDH1A1LMNAPOLBKDM4E
SCHEMBL3055534 0.80 ALDH1A1 (0.37) PKMALDH1A1LMNAPOLBKDM4E
SCHEMBL3055645 0.80 ALDH1A1 (0.42) PKMALDH1A1LMNAPOLBKDM4E
SCHEMBL3054859 0.80 ACHE (0.35) PKMALDH1A1LMNAPOLBKDM4E
SCHEMBL3059806 0.79 ACHE (0.39) PKMALDH1A1LMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885ALDH1A1 1930/4885LMNA 1113/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885ALDH1A1 1930/4885LMNA 1113/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885ALDH1A1 1930/4885LMNA 1113/4885

“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.