SCHEMBL3049707

SCHEMBL3049707

O=S(=O)(C1CC1)N1CCN(c2nc(Cc3ccc(Cl)cc3)ns2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
CYP17A1 P05093 4/20 0.38
CYP21A2 P08686 4/20 0.38
CYP11B1 P15538 3/20 0.38
HTR6 P50406 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LSS P48449 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3058172 0.95 CNR1 (0.38) CETPCNR1CNR2CYP17A1CYP21A2
SCHEMBL3062089 0.94 CHRM4 (0.39) CETPCNR1CNR2CYP17A1CYP21A2
SCHEMBL3055668 0.88 CYP17A1 (0.43) CNR1CYP17A1CYP21A2CYP11B1HTR6
SCHEMBL3055176 0.88 CNR1 (0.47) CNR1CYP17A1CYP21A2HTR6MEN1
SCHEMBL2005089 0.86 L3MBTL1 (0.45) CETPCNR1CNR2HTR6NPC1
SCHEMBL3063230 0.84 CNR1 (0.48) CNR1CYP17A1CYP21A2HTR6MEN1
SCHEMBL3054590 0.84 CYP17A1 (0.39) CNR1CYP17A1CYP21A2CYP11B1HTR6
SCHEMBL3065182 0.84 CETP (0.38) CETPCNR1CNR2HTR6NPC1
SCHEMBL3055859 0.83 CNR1 (0.47) CNR1CYP17A1CYP21A2HTR6MEN1
SCHEMBL3062905 0.83 CYP17A1 (0.39) CNR1CYP17A1CYP21A2HTR6L3MBTL1

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

“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.