SCHEMBL6541715

SCHEMBL6541715

COC(=O)C1=C(c2cc(OC)c3c(c2)OCO3)c2ccccc2S(=O)(=O)N1c1c(C)cccc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.47
MAPT P10636 4/20 0.42
EDNRB P24530 4/20 0.39
HPGD P15428 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.36
CREBBP Q92793 1/20 0.36
TP53 P04637 1/20 0.36
ABCB1 P08183 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR7 P34969 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
SCHEMBL6542440 0.92 EDNRA (0.55) EDNRAMAPTEDNRBHPGDCREBBP
SCHEMBL6541284 0.92 EDNRA (0.53) EDNRAMAPTEDNRBHPGDTHRB
SCHEMBL6542441 0.91 EDNRA (0.47) EDNRAMAPTEDNRBHPGDCREBBP
SCHEMBL6542768 0.87 EDNRA (0.45) EDNRAMAPTEDNRBHPGDTHRB
SCHEMBL6542394 0.86 EDNRA (0.53) EDNRAMAPTEDNRBHPGDTHRB
SCHEMBL6542000 0.86 EDNRA (0.53) EDNRAMAPTEDNRBHPGDTHRB
SCHEMBL6542031 0.85 EDNRA (0.54) EDNRAMAPTEDNRBTHRBPOLB
SCHEMBL6542047 0.84 EDNRA (0.68) EDNRAMAPTEDNRBHPGDTHRB
SCHEMBL6542402 0.84 EDNRA (0.62) EDNRAMAPTEDNRBHPGDCREBBP
SCHEMBL6542016 0.78 EDNRA (0.62) EDNRAMAPTEDNRBHPGDABCB1

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 7 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-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 (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 2/4885MAPT 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.