SCHEMBL3045720

SCHEMBL3045720

COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2nc(C(Cc3ccc(N(C)C)cc3)c3ccc(N)cc3)ns2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
GBA1 P04062 2/20 0.35
DCTPP1 Q9H773 1/20 0.35
LMNA P02545 2/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP19A1 P11511 1/20 0.33
KMT2A Q03164 2/20 0.33
P2RX7 Q99572 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 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
SCHEMBL3059099 0.87 KMT2A (0.33) DCTPP1ALDH1A1KMT2AP2RX7MEN1
SCHEMBL3068178 0.86 KMT2A (0.39) POLBLMNAALDH1A1KMT2AMEN1
SCHEMBL3054042 0.82 NR3C1 (0.37) HSD17B10POLBLMNAALDH1A1KMT2A
SCHEMBL3045610 0.82 KMT2A (0.37) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL3064709 0.81 ALDH1A1 (0.46) HSD17B10POLBALDH1A1KMT2ATDP1
SCHEMBL3069190 0.81 KMT2A (0.46) GBA1ALDH1A1KMT2ATDP1MEN1
SCHEMBL3055757 0.81 ALDH1A1 (0.37) HSD17B10LMNAALDH1A1KMT2AMEN1
SCHEMBL3060993 0.81 ESR2 (0.33) HSD17B10GBA1ALDH1A1
SCHEMBL3045584 0.81 ALDH1A1 (0.35) HSD17B10POLBALDH1A1KMT2AMEN1
SCHEMBL3045537 0.80 POLB (0.31) POLBMAPT

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 HSD17B10 1073/4885POLB 3933/4885GBA1 14/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HSD17B10 1073/4885POLB 3933/4885GBA1 14/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HSD17B10 1073/4885POLB 3933/4885GBA1 14/4885

“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.