SCHEMBL5485211

SCHEMBL5485211

COc1ccc2c(c1)S(=O)(=O)N=CN2CCO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIA2 P42262 2/20 0.37
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.35
MPO P05164 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL5487948 0.87 THRB (0.46) THRBCYP1A2CYP2C9CYP2C19HTT
SCHEMBL5487001 0.87 THRB (0.46) THRBCYP1A2CYP2C9CYP2C19HTT
SCHEMBL5485206 0.85 THRB (0.37) THRBCYP1A2CYP2C9CYP2C19HTT
SCHEMBL5412384 0.85 THRB (0.48) THRBCYP1A2CYP2C9CYP2C19HTT
SCHEMBL5183853 0.80 CYP1A2 (0.43) THRBCYP1A2CYP2C9CYP2C19HTT
SCHEMBL5349703 0.67 NPSR1 (0.50) THRBALDH1A1GRIA2MAPTNPSR1
SCHEMBL5486873 0.65 THRB (0.35) THRBGRIA2MAPTNPSR1TP53
SCHEMBL5355691 0.64 GRIA2 (0.43) THRBCYP1A2ALDH1A1SMN1; SMN2GRIA2
SCHEMBL2775615 0.61 GRIA2 (0.40) THRBCYP1A2ALDH1A1SMN1; SMN2GRIA2
SCHEMBL2775503 0.61 NPSR1 (0.47) THRBALDH1A1GRIA2MAPTHSD17B10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655030-B1 Benzothiadiazine derivatives, method for preparing same and pharmaceutical compositions containing same SERVIER LAB (FR) 2007-12-19 EP disclosed
US-20070270415-A1 Benzothiadiazine compounds LESLABORATOIRES SERVIER (FR) 2007-11-22 US disclosed
US-7268130-B2 Benzothiadiazine compounds LES LABORATOIRES SERVIER (FR) 2007-09-11 US disclosed
US-7262191-B2 Benzothiadiazine compounds LES LABORATORIES SERVIER (FR) 2007-08-28 US disclosed
EP-1655299-A1 Benzothiadiazine derivatives, process of preparation thereof and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-05-10 EP disclosed
EP-1655030-A1 Benzothiadiazine derivatives, method for preparing same and pharmaceutical compositions containing same Les Laboratoires Servier (FR) 2006-05-10 EP disclosed
US-20060094713-A1 New benzothiadiazine compounds LES LABORATOIRES SERVIER (FR) 2006-05-04 US disclosed
US-20060094712-A1 New benzothiadiazine compounds LES LABORATOIRES SERVIER (FR) 2006-05-04 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-20070270415-A1 Benzothiadiazine compounds SLC1A1, SLC1A2, SULT2A1 THRB 914/4885CYP1A2 210/4885CYP2C9 1358/4885
US-20060094712-A1 New benzothiadiazine compounds SLC1A1, SLC1A2, GABRA5 THRB 917/4885CYP1A2 501/4885CYP2C9 2019/4885
US-20060094713-A1 New benzothiadiazine compounds SQOR, NDUFS5, GLRX3 THRB 1105/4885CYP1A2 565/4885CYP2C9 1535/4885

“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.