SCHEMBL6541284

SCHEMBL6541284

COC(=O)C1=C(c2cc(OC)c3c(c2)OCO3)c2ccccc2S(=O)(=O)N1c1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.53
MAPT P10636 4/20 0.41
EDNRB P24530 4/20 0.39
POLB P06746 1/20 0.36
CREBBP Q92793 1/20 0.36
HCRTR2 O43614 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
ABCB1 P08183 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6542402 0.92 EDNRA (0.62) EDNRAMAPTEDNRBCREBBPHCRTR2
SCHEMBL6541715 0.92 EDNRA (0.47) EDNRAMAPTEDNRBPOLBCREBBP
SCHEMBL6542394 0.91 EDNRA (0.53) EDNRAMAPTEDNRBPOLBHCRTR2
SCHEMBL6542000 0.91 EDNRA (0.53) EDNRAMAPTEDNRBPOLBHCRTR2
SCHEMBL6542031 0.90 EDNRA (0.54) EDNRAMAPTEDNRBPOLBHCRTR2
SCHEMBL6542047 0.89 EDNRA (0.68) EDNRAMAPTEDNRBPOLBHCRTR2
SCHEMBL6542016 0.83 EDNRA (0.62) EDNRAMAPTEDNRBHCRTR2HPGD
SCHEMBL6542440 0.83 EDNRA (0.55) EDNRAMAPTEDNRBCREBBPTP53
SCHEMBL6542542 0.83 EDNRA (0.62) EDNRAMAPTEDNRBPOLBHCRTR2
SCHEMBL6541258 0.83 EDNRA (0.61) EDNRAMAPTEDNRBHCRTR2LMNA

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 10 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 claimed
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2001-11-01 US claimed
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 EDNRA 2/4885MAPT 2338/4885EDNRB 3/4885
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885MAPT 2338/4885EDNRB 3/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885MAPT 2338/4885EDNRB 3/4885

“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.