SCHEMBL6542527

SCHEMBL6542527

COC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PTGER1 P34995 1/20 0.40
PKM P14618 1/20 0.40
MCOLN3 Q8TDD5 2/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38

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
SCHEMBL6542729 0.92 CA1 (0.47) CA1CA2CA5ACA9MAPK1
SCHEMBL6541147 0.90 NPSR1 (0.46) CA1CA2CA5ACA9MAPK1
SCHEMBL6542612 0.83 ALDH1A1 (0.51) CA1CA2CA5ACA9MAPK1
SCHEMBL6542052 0.83 CA1 (0.47) CA1CA2CA5ACA9MAPK1
SCHEMBL6542027 0.83 CA1 (0.50) CA1CA2CA5ACA9MAPK1
SCHEMBL6542523 0.83 CA1 (0.47) CA1CA2CA5ACA9MAPK1
SCHEMBL6541196 0.82 KEAP1 (0.47) CA1CA2CA5ACA9MAPK1
SCHEMBL6542716 0.81 CA1 (0.45) CA1CA2CA5ACA9MAPK1
SCHEMBL6542409 0.80 CA1 (0.44) CA1CA2CA5ACA9MAPK1
SCHEMBL6541219 0.80 CA1 (0.44) CA1CA2CA5ACA9MAPK1

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 CA1 573/4885CA2 144/4885CA5A 73/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB CA1 573/4885CA2 144/4885CA5A 73/4885

“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.