SCHEMBL2005828

SCHEMBL2005828

C=CC(c1ccccc1)S(=O)(=O)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
FAAH O00519 2/20 0.36
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 2/20 0.32
HTR6 P50406 1/20 0.32
GBA1 P04062 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL2010179 0.91 CNR1 (0.45) CNR1FAAHMAPK1LMNASMN1; SMN2
SCHEMBL4685503 0.80 CNR1 (0.38) CNR1MAPK1LMNAMEN1KMT2A
SCHEMBL2005153 0.80 PKM (0.54) ALDH1A1MAPK1HPGDLMNASMN1; SMN2
SCHEMBL12569194 0.78 LMNA (0.59) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2005346 0.77 CNR1 (0.40) CNR1FAAHTP53LMNA
SCHEMBL2005831 0.76 LMNA (0.42) CNR1FAAHALDH1A1MAPK1LMNA
SCHEMBL3055668 0.75 CYP17A1 (0.43) CNR1FAAHALDH1A1MAPK1HPGD
SCHEMBL3046032 0.75 MMP13 (0.42) CNR1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL3061814 0.74 MAPK1 (0.38) CNR1FAAHALDH1A1MAPK1HPGD
SCHEMBL3053820 0.74 MMP13 (0.40) CNR1FAAHALDH1A1MAPK1LMNA

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 16 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 claimed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US claimed
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP claimed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US claimed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US claimed
EP-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP claimed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO claimed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO 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 (4 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 CNR1 3782/4885FAAH 2797/4885TP53 4360/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885FAAH 2797/4885TP53 4360/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885FAAH 2797/4885TP53 4360/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP CNR1 3094/4885FAAH 3884/4885TP53 4071/4885

“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.