SCHEMBL6541192

SCHEMBL6541192

Cc1cc2c(cc1N1C(C(=O)O)=C(c3ccc4c(c3)OCO4)c3ccccc3S1(=O)=O)OCO2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.60
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
EDNRB P24530 3/20 0.38
HTT P42858 1/20 0.37
PTPRC P08575 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
DHODH Q02127 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
SCHEMBL6541815 0.90 EDNRA (0.68) EDNRAPTGS2ALDH1A1KDM4EHPGD
SCHEMBL6542423 0.89 EDNRA (0.57) EDNRAPTGS2ALDH1A1KDM4EHPGD
SCHEMBL6541702 0.89 EDNRA (0.55) EDNRAPTGS2ALDH1A1KDM4EHPGD
SCHEMBL6541139 0.89 EDNRA (0.59) EDNRAPTGS2ALDH1A1KDM4EHPGD
SCHEMBL6541828 0.88 EDNRA (0.60) EDNRAPTGS2ALDH1A1KDM4EHPGD
SCHEMBL6541726 0.88 EDNRA (0.58) EDNRAPTGS2ALDH1A1KDM4EHPGD
SCHEMBL6542071 0.88 EDNRA (0.58) EDNRAPTGS2ALDH1A1KDM4EHPGD
SCHEMBL6541847 0.88 EDNRA (0.56) EDNRAPTGS2ALDH1A1KDM4EHPGD
SCHEMBL6541225 0.87 EDNRA (0.58) EDNRAPTGS2ALDH1A1KDM4EHPGD
SCHEMBL6542147 0.87 EDNRA (0.57) EDNRAPTGS2ALDH1A1KDM4EHPGD

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 7 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

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 2/4885PTGS2 109/4885ALDH1A1 1806/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885PTGS2 109/4885ALDH1A1 1806/4885

“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.