SCHEMBL3065182

SCHEMBL3065182

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.38
HTR6 P50406 1/20 0.37
CNR1 P21554 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FAAH O00519 1/20 0.35
LSS P48449 1/20 0.33
CNR2 P34972 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
SCHEMBL3060089 0.90 CNR1 (0.46) HTR6CNR1FAAH
SCHEMBL3061814 0.90 MAPK1 (0.38) HTR6CNR1POLBL3MBTL1FAAH
SCHEMBL2005089 0.86 L3MBTL1 (0.45) CETPHTR6CNR1NPC1RAB9A
SCHEMBL3061009 0.85 CNR1 (0.36) CETPHTR6CNR1NPC1RAB9A
SCHEMBL3064534 0.84 CNR1 (0.36) CETPHTR6CNR1NPC1RAB9A
SCHEMBL3049707 0.84 CETP (0.40) CETPHTR6CNR1NPC1RAB9A
SCHEMBL3067596 0.83 L3MBTL1 (0.38) CETPHTR6CNR1NPC1RAB9A
SCHEMBL3058172 0.82 CNR1 (0.38) CETPHTR6CNR1NPC1RAB9A
SCHEMBL3053146 0.81 CNR1 (0.44) CETPHTR6CNR1NPC1RAB9A
SCHEMBL2002863 0.81 L3MBTL1 (0.49) NPC1RAB9AL3MBTL1

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 CETP 3916/4885HTR6 2304/4885CNR1 3782/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CETP 3916/4885HTR6 2304/4885CNR1 3782/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CETP 3916/4885HTR6 2304/4885CNR1 3782/4885

“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.