SCHEMBL3046032

SCHEMBL3046032

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.42
MMP14 P50281 4/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTR6 P50406 2/20 0.38
ADAMTS4 O75173 3/20 0.38
KCNH2 Q12809 2/20 0.37
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MMP1 P03956 1/20 0.35
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP21A2 P08686 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
SCHEMBL3057706 0.90 CNR1 (0.50) MAPK1CNR1SMN1; SMN2HTR6MEN1
SCHEMBL3063931 0.89 CNR1 (0.42) MAPK1CNR1ALDH1A1L3MBTL1HTR6
SCHEMBL3053820 0.86 MMP13 (0.40) MMP13MMP14CYP3A4MAPK1CNR1
SCHEMBL3063266 0.84 L3MBTL1 (0.44) MAPK1CNR1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3068815 0.82 CNR1 (0.35) MMP13MMP14CYP3A4MAPK1CNR1
SCHEMBL3054896 0.82 L3MBTL1 (0.42) MAPK1CNR1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3062246 0.82 MAPK1 (0.39) MMP13MMP14MAPK1CNR1ALDH1A1
SCHEMBL3066927 0.81 CNR1 (0.49) MAPK1CNR1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3055668 0.81 CYP17A1 (0.43) CYP3A4MAPK1CNR1ALDH1A1SMN1; SMN2
SCHEMBL3062785 0.81 MAPK1 (0.38) MAPK1CNR1ALDH1A1SMN1; SMN2L3MBTL1

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 MMP13 1737/4885MMP14 1334/4885CYP3A4 3900/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MMP13 1737/4885MMP14 1334/4885CYP3A4 3900/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MMP13 1737/4885MMP14 1334/4885CYP3A4 3900/4885

“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.