SCHEMBL6542415

SCHEMBL6542415

Cc1cc2c(cc1N1C(C(=O)OC(C)(C)C)=C(O)c3ccccc3S1(=O)=O)OCO2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.42
HSD11B1 P28845 2/20 0.41
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
KDR P35968 1/20 0.37
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR2 O43614 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
THRB P10828 1/20 0.32
ABCB11 O95342 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL6542734 0.90 EDNRA (0.40) EDNRAHSD11B1USP2LMNAKDR
SCHEMBL6541854 0.87 EDNRA (0.49) EDNRAALDH1A1L3MBTL1HCRTR2HTT
SCHEMBL6541955 0.86 EDNRA (0.50) EDNRAHSD11B1USP2LMNAKDR
SCHEMBL6542717 0.85 EDNRA (0.38) EDNRAHSD11B1USP2LMNAKDR
SCHEMBL6541959 0.79 EDNRA (0.40) EDNRAHSD11B1USP2LMNAKDR
SCHEMBL6542585 0.78 EDNRA (0.48) EDNRAUSP2ALDH1A1L3MBTL1HCRTR2
SCHEMBL6542004 0.77 HSD11B1 (0.45) HSD11B1USP2LMNAKDRHPGD
SCHEMBL6542587 0.77 HSD11B1 (0.45) HSD11B1USP2LMNAHPGDPTGS1
SCHEMBL6542006 0.77 EDNRA (0.49) EDNRALMNAALDH1A1L3MBTL1HCRTR2
SCHEMBL6542645 0.77 EDNRA (0.49) EDNRAUSP2ALDH1A1L3MBTL1HPGD

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 claimed
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2001-11-01 US claimed
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

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 EDNRA 2/4885HSD11B1 1320/4885USP2 2763/4885
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885HSD11B1 1320/4885USP2 2763/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885HSD11B1 1320/4885USP2 2763/4885

“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.