SCHEMBL3045937

SCHEMBL3045937

COC(=O)c1ccccc1S(=O)(=O)N1CCCN(c2nc(C(O)c3ccc(Oc4ccccc4)cc3)ns2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 3/20 0.39
POLB P06746 1/20 0.38
CYP19A1 P11511 1/20 0.37
LMNA P02545 4/20 0.36
GBA1 P04062 1/20 0.36
FAAH O00519 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
HPGD P15428 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL3048997 0.88 DCTPP1 (0.34) ALDH1A1POLBLMNAMAPTHTT
SCHEMBL3058392 0.85 SMN1; SMN2 (0.45) ALDH1A1HSD17B10POLBLMNAFAAH
SCHEMBL3060129 0.83 KMT2A (0.46) ALDH1A1KDM4EHSD17B10POLBLMNA
SCHEMBL3064525 0.83 SMN1; SMN2 (0.42) ALDH1A1KDM4EHSD17B10POLBLMNA
SCHEMBL3054778 0.82 MAPT (0.49) ALDH1A1KDM4EHSD17B10POLBLMNA
SCHEMBL3060136 0.81 MAPT (0.43) ALDH1A1KDM4EHSD17B10POLBLMNA
SCHEMBL3065745 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10LMNAGBA1
SCHEMBL3054766 0.80 POLB (0.40) ALDH1A1HSD17B10POLBLMNAFAAH
SCHEMBL3058433 0.79 MAPT (0.40) CYP19A1MAPTKMT2A
SCHEMBL3066650 0.79 KMT2A (0.46) ALDH1A1KDM4EHSD17B10POLBLMNA

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 1930/4885KDM4E 4164/4885HSD17B10 1073/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885KDM4E 4164/4885HSD17B10 1073/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885KDM4E 4164/4885HSD17B10 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.