SCHEMBL3054367

SCHEMBL3054367

CC1CN(c2nc(C3(c4ccccc4)CCC(=O)CC3)ns2)CCN1S(=O)(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.42
PTGDR Q13258 1/20 0.34
PGR P06401 6/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL3058779 0.90 NPSR1 (0.37) HSD11B1SMN1; SMN2L3MBTL1MMP1MMP3
SCHEMBL3063678 0.88 L3MBTL1 (0.35) HSD11B1KMT2AMEN1L3MBTL1MMP1
SCHEMBL3054705 0.85 NR3C1 (0.37) HSD11B1PTGDRKMT2AMEN1L3MBTL1
SCHEMBL3055000 0.85 HSD11B1 (0.43) HSD11B1KMT2AL3MBTL1
SCHEMBL3060406 0.84 MMP1 (0.41) KMT2AMEN1SMN1; SMN2L3MBTL1MMP1
SCHEMBL3062049 0.84 MMP1 (0.35) HSD11B1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL3060016 0.83 ACHE (0.39) HSD11B1PTGDRKMT2AMEN1
SCHEMBL3055905 0.83 NR3C1 (0.41) KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL3054968 0.82 HSD11B1 (0.40) HSD11B1KMT2AMEN1L3MBTL1
SCHEMBL3065979 0.81 SMYD3 (0.37) HSD11B1L3MBTL1

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 HSD11B1 136/4885PTGDR 1086/4885PGR 4763/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HSD11B1 136/4885PTGDR 1086/4885PGR 4763/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HSD11B1 136/4885PTGDR 1086/4885PGR 4763/4885

“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.