SCHEMBL3067134

SCHEMBL3067134

COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2nc(C3(c4ccccc4)CCC(=O)CC3)ns2)CC1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.36
CYP19A1 P11511 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
NAAA Q02083 5/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
HCRTR2 O43614 1/20 0.33
POLB P06746 1/20 0.33
F2 P00734 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
KCNA3 P22001 1/20 0.32

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
SCHEMBL3059826 0.86 MEN1 (0.33)
SCHEMBL3055905 0.82 NR3C1 (0.41) ALDH1A1HSD17B10POLB
SCHEMBL3063678 0.82 L3MBTL1 (0.35) MMP1MMP3MMP7MMP9
SCHEMBL3054705 0.81 NR3C1 (0.37) MMP1MMP3MMP7MMP9MMP2
SCHEMBL3058779 0.80 NPSR1 (0.37) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL3060157 0.79 TSHR (0.35) ALDH1A1HSD17B10
SCHEMBL3055000 0.79 HSD11B1 (0.43) TDP1
SCHEMBL3060016 0.78 ACHE (0.39) ALDH1A1POLB
SCHEMBL3054367 0.78 HSD11B1 (0.42) MMP1MMP3MMP7MMP9
SCHEMBL3060404 0.77 LMNA (0.44) ALDH1A1POLB

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 ALDH1A1 1930/4885TDP1 47/4885HSD17B10 1073/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885TDP1 47/4885HSD17B10 1073/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885TDP1 47/4885HSD17B10 1073/4885

“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.