SCHEMBL3062893

SCHEMBL3062893

CC1CN(S(=O)(=O)CC(F)(F)F)CCN1c1nc(Cc2ccccc2[N+](=O)[O-])ns1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ACHE P22303 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 3/20 0.33
GPR174 Q9BXC1 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 1/20 0.31

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
SCHEMBL3055534 0.92 ALDH1A1 (0.37) PKMALDH1A1KDM4EACHELMNA
SCHEMBL3063693 0.91 PKM (0.44) PKMALDH1A1KDM4EACHELMNA
SCHEMBL3055687 0.89 PKM (0.37) PKMALDH1A1KDM4EACHELMNA
SCHEMBL3051077 0.87 ALDH1A1 (0.39) PKMALDH1A1KDM4EACHELMNA
SCHEMBL3056352 0.87 ACHE (0.36) PKMALDH1A1KDM4EACHELMNA
SCHEMBL3055645 0.87 ALDH1A1 (0.42) PKMALDH1A1KDM4EACHELMNA
SCHEMBL3054859 0.86 ACHE (0.35) PKMALDH1A1KDM4EACHELMNA
SCHEMBL3059806 0.86 ACHE (0.39) PKMALDH1A1KDM4EACHELMNA
SCHEMBL3054984 0.86 MMP1 (0.36) PKMALDH1A1KDM4EACHELMNA
SCHEMBL3054396 0.86 ALDH1A1 (0.38) PKMALDH1A1KDM4EACHELMNA

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 1930/4885KDM4E 4164/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885ALDH1A1 1930/4885KDM4E 4164/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885ALDH1A1 1930/4885KDM4E 4164/4885

“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.