SCHEMBL6541167

SCHEMBL6541167

CCCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
ESR1 P03372 2/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
CA9 Q16790 1/20 0.51
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
BMP1 P13497 1/20 0.42

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
SCHEMBL6541841 0.92 L3MBTL1 (0.63) L3MBTL1ESR1CA1CA2CA5A
SCHEMBL6542708 0.89 CA1 (0.54) L3MBTL1ESR1CA1CA2CA5A
SCHEMBL6542487 0.84 GAA (0.52) ESR1CA1CA2CA5ACA9
SCHEMBL6541810 0.78 CA1 (0.56) L3MBTL1CA1CA2CA5ACA9
SCHEMBL6541206 0.78 CA1 (0.56) L3MBTL1CA1CA2CA5ACA9
SCHEMBL11006620 0.78 CA1 (0.56) L3MBTL1CA1CA2CA5ACA9
SCHEMBL6542397 0.78 CA1 (0.56) L3MBTL1CA1CA2CA5ACA9
SCHEMBL9677113 0.77 CA1 (0.59) L3MBTL1CA1CA2CA5ACA9
SCHEMBL5652298 0.77 RAB9A (0.49) L3MBTL1ESR1CA1CA2CA5A
SCHEMBL6542605 0.77 CA1 (0.55) L3MBTL1ESR1CA1CA2CA5A

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 9 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
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 (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 L3MBTL1 3336/4885ESR1 317/4885CA1 573/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB L3MBTL1 3336/4885ESR1 317/4885CA1 573/4885

“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.