SCHEMBL3049093

SCHEMBL3049093

O=C(Cl)c1cc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALAD P13716 2/20 0.72
HDAC6 Q9UBN7 2/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
GSK3B P49841 1/20 0.41
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MMP12 P39900 4/20 0.37
PTPN1 P18031 1/20 0.37
MMP13 P45452 2/20 0.36
MCL1 Q07820 3/20 0.36
PRKCZ Q05513 1/20 0.35
MAPK1 P28482 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL6142121 0.84 ALAD (1.00) ALADHDAC6CES2CES1HDAC1
SCHEMBL3050661 0.81 HDAC6 (0.62) ALADHDAC6MMP12MMP13MMP3
SCHEMBL1032788 0.78
SCHEMBL6368361 0.78 ALAD (0.71) ALADHDAC6CES2CES1HDAC1
SCHEMBL27794744 0.78 ALAD (0.66) ALADHDAC6CES2CES1GSK3B
SCHEMBL6882343 0.78 MMP2 (0.49) ALADALDH1A1MMP12MMP13MAPK1
SCHEMBL6882861 0.74 MMP12 (0.57) ALADHDAC6MMP12MMP13
SCHEMBL2255046 0.70 CES2 (0.54) ALADHDAC6CES2CES1GSK3B
SCHEMBL2652069 0.69 ALAD (1.00) ALADHDAC6MMP12MMP13
SCHEMBL24176394 0.68 ALAD (0.72) ALADHDAC6MMP12MMP13

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-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALAD 3555/4885HDAC6 24/4885CES2 3923/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALAD 3555/4885HDAC6 24/4885CES2 3923/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALAD 3555/4885HDAC6 24/4885CES2 3923/4885

“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.