SCHEMBL3060016

SCHEMBL3060016

CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(C4(c5ccccc5)CCC(=O)CC4)ns3)CC2C)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.39
BCHE P06276 4/20 0.39
HSD11B1 P28845 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
KMT2A Q03164 3/20 0.33
HTR6 P50406 1/20 0.33
FAAH O00519 1/20 0.33
PTGDR Q13258 1/20 0.32
MEN1 O00255 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 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
SCHEMBL3055905 0.89 NR3C1 (0.41) ALDH1A1KMT2AMEN1NPSR1USP2
SCHEMBL3054367 0.83 HSD11B1 (0.42) HSD11B1KMT2APTGDRMEN1
SCHEMBL3063678 0.83 L3MBTL1 (0.35) HSD11B1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL3060404 0.82 LMNA (0.44) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL3058779 0.81 NPSR1 (0.37) HSD11B1ALDH1A1NPSR1LMNAMAPT
SCHEMBL3054705 0.81 NR3C1 (0.37) HSD11B1KDM2BKMT2APTGDRMEN1
SCHEMBL3055000 0.80 HSD11B1 (0.43) HSD11B1KMT2A
SCHEMBL3065979 0.80 SMYD3 (0.37) HSD11B1
SCHEMBL3058725 0.79 HSD11B1 (0.34) HSD11B1LMNA
SCHEMBL3067134 0.78 ALDH1A1 (0.41) 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 ACHE 2964/4885BCHE 3849/4885HSD11B1 136/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ACHE 2964/4885BCHE 3849/4885HSD11B1 136/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ACHE 2964/4885BCHE 3849/4885HSD11B1 136/4885

“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.