SCHEMBL1019901

SCHEMBL1019901

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
ALDH1A1 P00352 5/20 0.46
PKM P14618 1/20 0.46
CYP19A1 P11511 1/20 0.45
HTR7 P34969 3/20 0.44
POLB P06746 1/20 0.44
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK14 Q16539 3/20 0.41
DGAT1 O75907 1/20 0.41
MGAT3 Q09327 1/20 0.41
MGAT2 Q10469 1/20 0.41
TP53 P04637 1/20 0.41
USP2 O75604 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
SCHEMBL1021737 0.94 ALDH1A1 (0.47) RAF1BRAFALDH1A1PKMCYP19A1
SCHEMBL1020037 0.93 ALDH1A1 (0.50) RAF1BRAFALDH1A1PKMCYP19A1
SCHEMBL1020918 0.90 LMNA (0.51) BRAFALDH1A1PKMCYP19A1HTR7
SCHEMBL1019420 0.89 ALDH1A1 (0.56) ALDH1A1PKMHTR7POLBHTR1A
SCHEMBL1022108 0.89 ALDH1A1 (0.55) RAF1BRAFALDH1A1PKMCYP19A1
SCHEMBL1020309 0.88 CYP19A1 (0.49) RAF1BRAFALDH1A1PKMCYP19A1
SCHEMBL1018809 0.88 ALDH1A1 (0.55) BRAFALDH1A1PKMHTR7POLB
SCHEMBL1021432 0.86 ALDH1A1 (0.46) BRAFALDH1A1PKMHTR7HTR1A
SCHEMBL1018423 0.84 LMNA (0.52) ALDH1A1PKMCYP19A1POLBMAPT
SCHEMBL1020922 0.84 MGAT3 (0.41) ALDH1A1CYP19A1POLBMAPTSMN1; 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 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 RAF1 2120/4885BRAF 3966/4885ALDH1A1 608/4885

“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.