SCHEMBL6541766

SCHEMBL6541766

CCCCc1ccccc1COC(=O)CNS(=O)(=O)c1ccccc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.46
CA12 O43570 3/20 0.46
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
BRD4 O60885 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6542405 0.95 ALDH1A1 (0.47) CA9CA12ALDH1A1NPC1GAA
SCHEMBL6542519 0.90 ALDH1A1 (0.48) CA9CA12ALDH1A1NPC1GAA
SCHEMBL6542050 0.84 ALDH1A1 (0.49) CA9ALDH1A1NPC1GAACA1
SCHEMBL6542724 0.84 KMT2A (0.47) CA9ALDH1A1NPC1GAACA1
SCHEMBL6542023 0.84 ALDH1A1 (0.64) CA9CA12ALDH1A1NPC1GAA
SCHEMBL6542712 0.82 ALDH1A1 (0.45) CA9CA12ALDH1A1NPC1GAA
SCHEMBL6541143 0.80 ALDH1A1 (0.46) CA9ALDH1A1NPC1GAACA1
SCHEMBL6541166 0.79 PKM (0.44) CA9CA12ALDH1A1NPC1GAA
SCHEMBL6541833 0.78 SLC40A1 (0.55) CA9CA12ALDH1A1NPC1GAA
SCHEMBL6542609 0.78 KMT2A (0.46) CA9ALDH1A1NPC1GAACA1

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 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
EP-1009743-A1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER-LAMBERT COMPANY (US) 2000-06-21 EP disclosed
WO-1999012916-A1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER-LAMBERT COMPANY (US) 1999-03-18 WO 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 CA9 1425/4885CA12 1604/4885ALDH1A1 1806/4885
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB CA9 1425/4885CA12 1604/4885ALDH1A1 1806/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB CA9 1425/4885CA12 1604/4885ALDH1A1 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.