SCHEMBL1020847

SCHEMBL1020847

COc1ccc(S(=O)(=O)NCCCNc2nc(Cc3ccccc3C)ns2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
PKM P14618 1/20 0.49
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.43
BRAF P15056 2/20 0.42
HTR7 P34969 4/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAF1 P04049 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL1020133 0.94 ALDH1A1 (0.46) ALDH1A1PKMPOLBLMNAMAPT
SCHEMBL1020903 0.90 ALDH1A1 (0.49) ALDH1A1PKMPOLBUSP2BRAF
SCHEMBL1020275 0.90 HTR7 (0.48) ALDH1A1PKMPOLBUSP2BRAF
SCHEMBL1022108 0.87 ALDH1A1 (0.55) ALDH1A1PKMPOLBUSP2BRAF
SCHEMBL1018809 0.86 ALDH1A1 (0.55) ALDH1A1PKMPOLBUSP2BRAF
SCHEMBL1020831 0.84 ALDH1A1 (0.52) ALDH1A1PKMPOLBUSP2LMNA
SCHEMBL1020806 0.84 GAA (0.47) ALDH1A1PKMPOLBHTR7LMNA
SCHEMBL1020037 0.83 ALDH1A1 (0.50) ALDH1A1PKMPOLBUSP2BRAF
SCHEMBL1022130 0.83 HTR7 (0.46) ALDH1A1PKMPOLBBRAFHTR7
SCHEMBL1020314 0.83 KDM4E (0.39) ALDH1A1LMNAMAPTSMN1; SMN2

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-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
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP 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 608/4885PKM 1326/4885POLB 2907/4885

“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.