SCHEMBL3054705

SCHEMBL3054705

CC1CN(c2nc(C3(c4ccccc4)CCC(=O)CC3)ns2)CCN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.37
MMP1 P03956 5/20 0.36
MMP3 P08254 5/20 0.36
MMP7 P09237 4/20 0.36
MMP9 P14780 3/20 0.36
MMP2 P08253 2/20 0.36
MMP13 P45452 2/20 0.36
MMP14 P50281 2/20 0.36
HSD11B1 P28845 8/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
MMP16 P51512 1/20 0.34
ADAM17 P78536 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGDR Q13258 1/20 0.33
KDM2B Q8NHM5 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
SCHEMBL3063678 0.91 L3MBTL1 (0.35) NR3C1MMP1MMP3MMP7MMP9
SCHEMBL3058779 0.89 NPSR1 (0.37) NR3C1MMP1MMP3MMP7MMP9
SCHEMBL3055000 0.88 HSD11B1 (0.43) NR3C1HSD11B1KMT2AL3MBTL1
SCHEMBL3055905 0.86 NR3C1 (0.41) NR3C1MEN1PKMKMT2AL3MBTL1
SCHEMBL3054968 0.85 HSD11B1 (0.40) HSD11B1MEN1KMT2AL3MBTL1
SCHEMBL3054367 0.85 HSD11B1 (0.42) MMP1MMP3MMP7MMP9HSD11B1
SCHEMBL3060406 0.85 MMP1 (0.41) MMP1MMP3MMP7MMP9MEN1
SCHEMBL3062049 0.85 MMP1 (0.35) MMP1MMP3MMP7MMP9HSD11B1
SCHEMBL3059826 0.84 MEN1 (0.33) MEN1KMT2A
SCHEMBL3065979 0.83 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 NR3C1 809/4885MMP1 2836/4885MMP3 748/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NR3C1 809/4885MMP1 2836/4885MMP3 748/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NR3C1 809/4885MMP1 2836/4885MMP3 748/4885

“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.