SCHEMBL3053146

SCHEMBL3053146

O=S(=O)(CCC(F)(F)F)N1CCN(c2nc(Cc3ccc(Cl)cc3)ns2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.44
CNR2 P34972 2/20 0.44
CETP P11597 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3062246 0.91 MAPK1 (0.39) CNR1CNR2L3MBTL1HTR6POLB
SCHEMBL3069155 0.90 CNR1 (0.44) CNR1CNR2HTR6MEN1LMNA
SCHEMBL3067596 0.89 L3MBTL1 (0.38) CNR1CNR2CETPL3MBTL1HTR6
SCHEMBL3068797 0.87 CNR1 (0.39) CNR1CNR2L3MBTL1HTR6POLB
SCHEMBL2005089 0.86 L3MBTL1 (0.45) CNR1CNR2CETPL3MBTL1HTR6
SCHEMBL2012201 0.84 CNR1 (0.43) CNR1CNR2CETPL3MBTL1HTR6
SCHEMBL3065311 0.82 CNR1 (0.40) CNR1CNR2CETPL3MBTL1HTR6
SCHEMBL3063159 0.81 CNR1 (0.44) CNR1CNR2HTR6MEN1LMNA
SCHEMBL3065182 0.81 CETP (0.38) CNR1CNR2CETPL3MBTL1HTR6
SCHEMBL17102081 0.81 CNR1 (0.31) CNR1CNR2L3MBTL1HTR6MEN1

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 CNR1 3782/4885CNR2 3397/4885CETP 3916/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885CNR2 3397/4885CETP 3916/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885CNR2 3397/4885CETP 3916/4885

“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.