SCHEMBL6542585

SCHEMBL6542585

CC(C)(C)OC(=O)C1=C(c2ccc3c(c2)OCO3)c2ccccc2S(=O)(=O)N1c1cc2c(cc1Cl)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.48
RORB Q92753 1/20 0.36
SCD5 Q86SK9 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A9 P48067 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL6542645 0.94 EDNRA (0.49) EDNRARORBSCD5SLC16A3SLC16A1
SCHEMBL6541854 0.91 EDNRA (0.49) EDNRASCD5ALDH1A1L3MBTL1KDM4E
SCHEMBL6542006 0.89 EDNRA (0.49) EDNRASCD5ALDH1A1L3MBTL1NPSR1
SCHEMBL6542734 0.87 EDNRA (0.40) EDNRAALDH1A1L3MBTL1USP2HPGD
SCHEMBL6542423 0.86 EDNRA (0.57) EDNRARORBALDH1A1L3MBTL1SLC6A9
SCHEMBL6542633 0.83 EDNRA (0.48) EDNRAALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL6542667 0.82 EDNRA (0.47) EDNRARORBALDH1A1L3MBTL1SLC6A9
SCHEMBL6542090 0.81 EDNRA (0.45) EDNRAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6542007 0.81 EDNRA (0.46) EDNRAALDH1A1L3MBTL1SLC6A9KDM4E
SCHEMBL6542071 0.80 EDNRA (0.58) EDNRARORBALDH1A1L3MBTL1SLC6A9

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 6 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-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 (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 EDNRA 2/4885RORB 3406/4885SCD5 2275/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885RORB 3406/4885SCD5 2275/4885

“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.