SCHEMBL6542586

SCHEMBL6542586

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA9 Q16790 5/20 0.44
CA12 O43570 4/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CEL P19835 1/20 0.41
NPC1 O15118 2/20 0.41
HSP90AA1 P07900 2/20 0.41
RAB9A P51151 2/20 0.41
PAX8 Q06710 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 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
SCHEMBL6541543 0.85 LMNA (0.52) LMNAALDH1A1L3MBTL1CA9CA12
SCHEMBL6541955 0.80 EDNRA (0.50) LMNAALDH1A1L3MBTL1HTTKDM4E
SCHEMBL7344750 0.79 LMNA (0.55) LMNAALDH1A1L3MBTL1CA9CA2
SCHEMBL6541959 0.78 EDNRA (0.40) LMNAALDH1A1L3MBTL1HPGDHTT
SCHEMBL6541192 0.77 EDNRA (0.60) LMNAALDH1A1L3MBTL1HPGDHTT
SCHEMBL13665445 0.76 TSHR (0.48) LMNAALDH1A1L3MBTL1HPGDTSHR
SCHEMBL6542415 0.76 EDNRA (0.42) LMNAALDH1A1L3MBTL1HPGDHTT
SCHEMBL6542717 0.74 EDNRA (0.38) LMNAALDH1A1L3MBTL1HPGDHTT
SCHEMBL6541854 0.73 EDNRA (0.49) ALDH1A1L3MBTL1HTTKDM4EHSD17B10
SCHEMBL7340602 0.68 ALDH1A1 (0.69) ALDH1A1L3MBTL1CA9CA12CA1

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 8 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

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 LMNA 2078/4885ALDH1A1 1806/4885L3MBTL1 3336/4885
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB LMNA 2078/4885ALDH1A1 1806/4885L3MBTL1 3336/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB LMNA 2078/4885ALDH1A1 1806/4885L3MBTL1 3336/4885

“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.