SCHEMBL1020037

SCHEMBL1020037

COc1ccc(S(=O)(=O)NCCCNc2nc(Cc3cccc(OC)c3)ns2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
PKM P14618 1/20 0.50
HTR7 P34969 2/20 0.49
CYP19A1 P11511 1/20 0.48
POLB P06746 2/20 0.47
MAPK14 Q16539 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
BRAF P15056 2/20 0.44
RAF1 P04049 1/20 0.44
USP2 O75604 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AKR1C3 P42330 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL1020309 0.95 CYP19A1 (0.49) ALDH1A1PKMHTR7CYP19A1POLB
SCHEMBL1020918 0.93 LMNA (0.51) ALDH1A1PKMHTR7CYP19A1POLB
SCHEMBL1019901 0.93 RAF1 (0.47) ALDH1A1PKMHTR7CYP19A1POLB
SCHEMBL1022108 0.92 ALDH1A1 (0.55) ALDH1A1PKMHTR7CYP19A1POLB
SCHEMBL1018809 0.91 ALDH1A1 (0.55) ALDH1A1PKMHTR7POLBSMN1; SMN2
SCHEMBL1018423 0.87 LMNA (0.52) ALDH1A1PKMCYP19A1POLBL3MBTL1
SCHEMBL1020831 0.87 ALDH1A1 (0.52) ALDH1A1PKMPOLBSMN1; SMN2LMNA
SCHEMBL1020198 0.87 PKM (0.57) ALDH1A1PKMPOLBSMN1; SMN2LMNA
SCHEMBL1021737 0.87 ALDH1A1 (0.47) ALDH1A1PKMHTR7CYP19A1POLB
SCHEMBL1019420 0.86 ALDH1A1 (0.56) ALDH1A1PKMHTR7POLBSMN1; 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 11 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
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
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
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO 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 1326/4885HTR7 2114/4885

“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.