SCHEMBL3046375

SCHEMBL3046375

CCOCc1cc(C(=O)Cl)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.46
GAA P10253 4/20 0.38
RAB9A P51151 7/20 0.37
TP53 P04637 3/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 6/20 0.35
NPC1 O15118 5/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 4/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP4 P27487 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL1701349 0.80 DAO (0.69) DAOGAARAB9ATP53USP2
SCHEMBL2873316 0.72 PLK1 (0.43) DAORAB9ATP53SMN1; SMN2NPC1
SCHEMBL12811310 0.71 DPP4 (0.38) DAODPP4
SCHEMBL10211520 0.71 DPP4 (0.38) SMN1; SMN2ALDH1A1MAPTMAPK1DPP4
SCHEMBL23202358 0.70 DAO (0.50) DAOGAARAB9ATP53USP2
SCHEMBL3659417 0.67 DAO (0.65) DAOGAARAB9ATP53USP2
SCHEMBL10211541 0.67 DPP4 (0.38) DPP4
SCHEMBL13809773 0.67 DAO (0.65) DAOGAARAB9ATP53USP2
SCHEMBL19434610 0.67 PARP1 (0.42) DAOGAARAB9ATP53USP2
SCHEMBL11001917 0.66

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 DAO 2444/4885GAA 203/4885RAB9A 2845/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 DAO 2444/4885GAA 203/4885RAB9A 2845/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 DAO 2444/4885GAA 203/4885RAB9A 2845/4885

“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.