SCHEMBL1020985

SCHEMBL1020985

COc1ccccc1Cc1nsc(NC(C)CNS(=O)(=O)c2cccs2)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 3/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1021482 0.88 TP53 (0.39) TP53MEN1KMT2AHPGDL3MBTL1
SCHEMBL1019638 0.87 ALDH1A1 (0.40) ALDH1A1GAATP53MEN1KMT2A
SCHEMBL1020282 0.85 GAA (0.44) ALDH1A1MAPTTSHRGAAMEN1
SCHEMBL1021327 0.85 CYP2C9 (0.40) ALDH1A1TP53MEN1KMT2AHPGD
SCHEMBL1020150 0.84 MEN1 (0.45) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL1020809 0.84 CYP2D6 (0.46) ALDH1A1MAPTTSHRGAATP53
SCHEMBL1019750 0.83 NPY5R (0.46) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL1020254 0.82 CYP2C9 (0.40) MAPTTP53MEN1KMT2AHPGD
SCHEMBL1021080 0.82 PKM (0.47) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL1020255 0.81 HTT (0.42) ALDH1A1TSHRTP53MEN1KMT2A

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 ALDH1A1 608/4885MAPT 4/4885TSHR 3125/4885

“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.