SCHEMBL3046067

SCHEMBL3046067

CC(=O)N1CCc2cc(S(=O)(=O)N3CCCN(c4nc(C(O)c5ccc(Oc6ccccc6)cc5)ns4)CC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
TNF P01375 2/20 0.46
NOD2 Q9HC29 2/20 0.46
NOD1 Q9Y239 2/20 0.46
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
PTPN11 Q06124 2/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3058633 0.89 TP53 (0.39) LMNAPOLBTP53ALDH1A1MEN1
SCHEMBL3058392 0.86 SMN1; SMN2 (0.45) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL3064525 0.83 SMN1; SMN2 (0.42) LMNAPOLBALDH1A1KMT2AHPGD
SCHEMBL3054778 0.82 MAPT (0.49) LMNAPOLBTP53ALDH1A1MEN1
SCHEMBL3053688 0.82 ACHE (0.46) LMNAPOLBTP53ALDH1A1MAPK1
SCHEMBL3066650 0.81 KMT2A (0.46) LMNAPOLBALDH1A1KMT2AHPGD
SCHEMBL3060136 0.81 MAPT (0.43) LMNAPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL3051045 0.81 SCN9A (0.45) LMNAALDH1A1KMT2AHPGDMAPK1
SCHEMBL3054766 0.80 POLB (0.40) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL3063971 0.79 MCL1 (0.41) LMNAALDH1A1MEN1KMT2AHPGD

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 LMNA 1113/4885POLB 3933/4885TP53 4360/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LMNA 1113/4885POLB 3933/4885TP53 4360/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 LMNA 1113/4885POLB 3933/4885TP53 4360/4885

“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.