SCHEMBL1019414

SCHEMBL1019414

COc1ccc(S(=O)(=O)NCCNc2nc(Cc3ccc(F)cc3)ns2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
MAPT P10636 3/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
PKM P14618 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
RAF1 P04049 1/20 0.44
BRAF P15056 1/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL1018422 0.95 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2PKMPOLB
SCHEMBL1019420 0.94 ALDH1A1 (0.56) ALDH1A1MAPTTP53SMN1; SMN2PKM
SCHEMBL1020764 0.91 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2PKMEGFR
SCHEMBL1020720 0.90 MEN1 (0.51) ALDH1A1MAPTSMN1; SMN2PKMEGFR
SCHEMBL1019565 0.90 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2PKMRAF1
SCHEMBL1018809 0.89 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2PKMHTR7BRAF
SCHEMBL1021737 0.88 ALDH1A1 (0.47) ALDH1A1MAPTTP53SMN1; SMN2PKM
SCHEMBL1021202 0.88 ALDH1A1 (0.46) ALDH1A1MAPTTP53SMN1; SMN2PKM
SCHEMBL1020309 0.85 CYP19A1 (0.49) ALDH1A1MAPTSMN1; SMN2PKMHTR7
SCHEMBL1020831 0.85 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2PKMEGFR

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 4/4885TP53 4071/4885

“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.