SCHEMBL6542006

SCHEMBL6542006

CC(C)(C)OC(=O)C1=C(c2ccc3c(c2)OCO3)c2ccccc2S(=O)(=O)N1c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.49
SCD5 Q86SK9 2/20 0.38
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.34
PTGS2 P35354 1/20 0.34
HCRTR2 O43614 1/20 0.34
RIPK2 O43353 1/20 0.33
PAX8 Q06710 1/20 0.33
PTPRC P08575 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 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
SCHEMBL6541854 0.90 EDNRA (0.49) EDNRASCD5ALDH1A1L3MBTL1TP53
SCHEMBL6542645 0.90 EDNRA (0.49) EDNRASCD5ALDH1A1L3MBTL1MAPT
SCHEMBL6542585 0.89 EDNRA (0.48) EDNRASCD5ALDH1A1L3MBTL1MAPT
SCHEMBL6541726 0.86 EDNRA (0.58) EDNRAALDH1A1L3MBTL1TP53POLB
SCHEMBL6542044 0.80 EDNRA (0.56) EDNRAALDH1A1L3MBTL1MAPTTP53
SCHEMBL6542540 0.80 EDNRA (0.49) EDNRAALDH1A1L3MBTL1MAPTTP53
SCHEMBL6542570 0.79 EDNRA (0.51) EDNRASCD5ALDH1A1L3MBTL1MAPT
SCHEMBL6542591 0.79 EDNRA (0.66) EDNRAALDH1A1L3MBTL1MAPTTP53
SCHEMBL6542000 0.79 EDNRA (0.53) EDNRAMAPTTP53POLBHCRTR2
SCHEMBL6541268 0.79 EDNRA (0.48) EDNRAALDH1A1L3MBTL1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1009743-B1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER LAMBERT CO (US) 2004-06-30 EP disclosed
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2003-04-17 US disclosed
US-6545150-B2 Preparing 1,1-dioxo-2-phenyl-3-carboxy-4-phenyl-1,2-benzo(e)-thiazines by a five-step process starting with a (2-(methyl-oxycarbonyl-)phenyl-sulfonamido-)benzene; alkylation; cyclization; hydroxylation; esterification and coupling WARNER-LAMBERT COMPANY 2003-04-08 US disclosed
US-20020094980-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2002-07-18 US disclosed
US-6252070-B1 REACTING ARYL BROMIDE WITH BUTYLLITHIUM AND ZINC BROMIDE TO GIVE ARYL ZINC BROMIDE; REACTING WITH CORRESPONDING BENZOTHIAZINE COMPOUND WARNER-LAMBERT COMPANY 2001-06-26 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 (2 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-20020094980-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885SCD5 2275/4885ALDH1A1 1806/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885SCD5 2275/4885ALDH1A1 1806/4885

“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.