SCHEMBL6542645

SCHEMBL6542645

CC(C)(C)OC(=O)C1=C(c2ccc3c(c2)OCO3)c2ccccc2S(=O)(=O)N1c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.49
RORB Q92753 1/20 0.39
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
ALDH1A1 P00352 6/20 0.38
RAB9A P51151 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 2/20 0.38
SLC6A9 P48067 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 3/20 0.37
NFKB1 P19838 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
SCHEMBL6542585 0.94 EDNRA (0.48) EDNRARORBSLC16A3SLC16A1ALDH1A1
SCHEMBL6541854 0.90 EDNRA (0.49) EDNRAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6542006 0.90 EDNRA (0.49) EDNRAALDH1A1NPSR1POLBMAPT
SCHEMBL6542071 0.86 EDNRA (0.58) EDNRARORBALDH1A1RAB9ANPSR1
SCHEMBL6542667 0.84 EDNRA (0.47) EDNRARORBALDH1A1RAB9ANPSR1
SCHEMBL6542633 0.83 EDNRA (0.48) EDNRAALDH1A1RAB9ANPSR1NPC1
SCHEMBL6542007 0.83 EDNRA (0.46) EDNRAALDH1A1NPSR1SLC6A9SMN1; SMN2
SCHEMBL6542090 0.82 EDNRA (0.45) EDNRAALDH1A1RAB9ANPSR1NPC1
SCHEMBL6541847 0.80 EDNRA (0.56) EDNRARORBALDH1A1RAB9ANPSR1
SCHEMBL6542734 0.80 EDNRA (0.40) EDNRAALDH1A1HPGDUSP2L3MBTL1

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-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-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 2/4885RORB 3406/4885SLC16A3 3208/4885
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885RORB 3406/4885SLC16A3 3208/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885RORB 3406/4885SLC16A3 3208/4885

“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.