SCHEMBL6541102

SCHEMBL6541102

COC(=O)c1ccccc1S(=O)(=O)Nc1c(C)cccc1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA5A P35218 1/20 0.58
CA9 Q16790 1/20 0.58
SLC40A1 Q9NP59 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
BRD4 O60885 3/20 0.54
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.50
FFAR4 Q5NUL3 2/20 0.48
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN5 P54829 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL17813860 0.89 CA1 (0.50) CA1CA2CA5ACA9SLC40A1
SCHEMBL6541197 0.87 SLC40A1 (0.62) CA1CA2CA5ACA9SLC40A1
SCHEMBL2741010 0.81 NPC1 (0.66) CA1CA2CA5ACA9SLC40A1
SCHEMBL16674253 0.81 TSHR (0.59) CA1CA2CA5ACA9SLC40A1
SCHEMBL10781994 0.80 CA1 (0.63) CA1CA2CA5ACA9SLC40A1
SCHEMBL3256951 0.79 CA1 (0.67) CA1CA2CA5ACA9SLC40A1
SCHEMBL21268180 0.79 CA1 (0.67) CA1CA2CA5ACA9SLC40A1
SCHEMBL5788749 0.78 TSHR (0.51) CA1CA2CA5ACA9KMT2A
SCHEMBL6542410 0.78 SLC40A1 (0.59) CA1CA2CA5ACA9SLC40A1
SCHEMBL9683306 0.78 CA1 (0.70) CA1CA2CA5ACA9SLC40A1

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 CA1 573/4885CA2 144/4885CA5A 73/4885
US-20010036944-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.