SCHEMBL1019529

SCHEMBL1019529

O=S(=O)(NCCNc1nc(Cc2ccccc2F)ns1)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPY5R Q15761 1/20 0.43
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1021488 0.94 NPY5R (0.48) CYP2D6CYP2C9CYP2C19NPY5RHPGD
SCHEMBL1020139 0.88 CYP2C9 (0.49) CYP2D6CYP2C9CYP2C19NPY5RHPGD
SCHEMBL1020809 0.85 CYP2D6 (0.46) CYP2D6CYP2C9CYP2C19NPY5RHPGD
SCHEMBL1020397 0.85 CYP2D6 (0.53) CYP2D6CYP2C9CYP2C19NPY5RALDH1A1
SCHEMBL1019823 0.84 CYP2D6 (0.50) CYP2D6CYP2C9CYP2C19NPY5RHPGD
SCHEMBL1019638 0.82 ALDH1A1 (0.40) CYP2D6CYP2C9CYP2C19HPGDL3MBTL1
SCHEMBL1020301 0.82 NPC1 (0.41) HPGDL3MBTL1ALDH1A1TP53RAB9A
SCHEMBL1019712 0.82 NPY5R (0.48) CYP2D6CYP2C9CYP2C19NPY5RHPGD
SCHEMBL1019647 0.82 CYP2D6 (0.47) CYP2D6CYP2C9CYP2C19NPY5RALDH1A1
SCHEMBL1019882 0.82 CYP2C9 (0.44) CYP2D6CYP2C9CYP2C19NPY5RALDH1A1

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 CYP2D6 4262/4885CYP2C9 4583/4885CYP2C19 3887/4885

“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.