SCHEMBL6541994

SCHEMBL6541994

COC(=O)C1=C(c2cc(OC)cc(OC)c2)c2ccccc2S(=O)(=O)N1c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EDNRA P25101 1/20 0.39
HTT P42858 1/20 0.38
FBP1 P09467 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL6542017 0.91 EDNRA (0.47) MAPTHPGDPOLBTP53THRB
SCHEMBL6541201 0.86 EDNRA (0.53) MAPTHPGDPOLBTP53THRB
SCHEMBL6542021 0.83 MAPT (0.40) MAPTHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6542000 0.81 EDNRA (0.53) MAPTHPGDPOLBTP53THRB
SCHEMBL6542499 0.80 HSD11B1 (0.47) HPGDCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6541750 0.78 EDNRA (0.47) MAPTHPGDPOLBTP53THRB
SCHEMBL6542066 0.77 EDNRA (0.63) MAPTPOLBTP53CYP1A2CYP2C9
SCHEMBL6541319 0.75 EDNRA (0.54) MAPTHPGDPOLBTP53THRB
SCHEMBL6542067 0.73 HSD11B1 (0.49) MAPTHPGDPOLBTP53ALDH1A1
SCHEMBL6542016 0.72 EDNRA (0.62) MAPTHPGDKDM4EALDH1A1EDNRA

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-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-6440962-B2 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS WARNER-LAMBERT COMPANY 2002-08-27 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-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2001-11-01 US disclosed
US-6265399-B1 ALKYLATION; CYCLIZATION WARNER-LAMBERT COMPANY 2001-07-24 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 (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-20020094980-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB MAPT 2338/4885HPGD 1103/4885POLB 4045/4885
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB MAPT 2338/4885HPGD 1103/4885POLB 4045/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB MAPT 2338/4885HPGD 1103/4885POLB 4045/4885

“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.