SCHEMBL1020769

SCHEMBL1020769

COc1ccc(S(=O)(=O)NCC(C)Nc2nc(Cc3cccc(OC)c3)ns2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 4/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 4/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HTR7 P34969 1/20 0.39
NAMPT P43490 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1020571 0.93 MAPT (0.48) CYP19A1ALDH1A1MAPTTP53POLB
SCHEMBL1021100 0.92 CYP19A1 (0.44) CYP19A1ALDH1A1MAPTTP53POLB
SCHEMBL1019470 0.91 ALDH1A1 (0.50) CYP19A1ALDH1A1MAPTPOLBGAA
SCHEMBL1021548 0.90 ALDH1A1 (0.45) CYP19A1ALDH1A1POLBGAALMNA
SCHEMBL1021080 0.87 PKM (0.47) ALDH1A1MAPTTP53POLBMEN1
SCHEMBL1021412 0.87 ALDH1A1 (0.51) ALDH1A1MAPTTP53GAALMNA
SCHEMBL1022179 0.86 CA1 (0.43) ALDH1A1MAPTTP53POLBGAA
SCHEMBL1018475 0.86 ALDH1A1 (0.50) ALDH1A1MAPTTP53POLBGAA
SCHEMBL1019776 0.85 LMNA (0.41) ALDH1A1MAPTTP53GAAMEN1
SCHEMBL12569073 0.85 POLB (0.47) CYP19A1ALDH1A1TP53POLBGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US claimed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP claimed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US claimed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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 (1 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP CYP19A1 4749/4885ALDH1A1 608/4885MAPT 4/4885

“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.