SCHEMBL6542491

SCHEMBL6542491

CCCCc1ccccc1N1C(C(=O)OC)=C(c2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.51
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
MAPT P10636 5/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HCRTR2 O43614 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL6541202 0.95 EDNRA (0.51) EDNRAGABRA1GABRB2MAPTALDH1A1
SCHEMBL6542044 0.93 EDNRA (0.56) EDNRAMAPTALDH1A1L3MBTL1LMNA
SCHEMBL6542109 0.91 EDNRA (0.61) EDNRAGABRA1GABRB2MAPTALDH1A1
SCHEMBL7252735 0.87 EDNRA (0.50) EDNRAMAPTALDH1A1L3MBTL1POLB
SCHEMBL6541682 0.87 EDNRA (0.61) EDNRAGABRA1GABRB2MAPTALDH1A1
SCHEMBL6542540 0.86 EDNRA (0.49) EDNRAMAPTALDH1A1L3MBTL1HPGD
SCHEMBL7683290 0.85 EDNRA (0.50) EDNRAGABRA1GABRB2MAPTALDH1A1
SCHEMBL6542570 0.85 EDNRA (0.51) EDNRAMAPTALDH1A1L3MBTL1LMNA
SCHEMBL6542111 0.85 EDNRA (0.47) EDNRAGABRA1GABRB2MAPTALDH1A1
SCHEMBL6541815 0.85 EDNRA (0.68) EDNRAGABRA1GABRB2ALDH1A1L3MBTL1

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 EDNRA 2/4885GABRA1 1021/4885GABRB2 1862/4885
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885GABRA1 1021/4885GABRB2 1862/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885GABRA1 1021/4885GABRB2 1862/4885

“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.