SCHEMBL6542769

SCHEMBL6542769

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2S(=O)(=O)N1c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.49
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.39
MAPT P10636 7/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EDNRA P25101 1/20 0.35
ELANE P08246 1/20 0.34
PARL Q9H300 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6542292 0.93 HSD11B1 (0.47) HSD11B1POLBHPGDMAPTTP53
SCHEMBL6542207 0.92 HSD11B1 (0.46) HSD11B1POLBHPGDMAPTTP53
SCHEMBL6541798 0.91 HSD11B1 (0.46) HSD11B1POLBHPGDMAPTTP53
SCHEMBL6541132 0.89 HSD11B1 (0.50) HSD11B1POLBHPGDMAPTTP53
SCHEMBL6542060 0.89 HSD11B1 (0.45) HSD11B1POLBHPGDMAPTTP53
SCHEMBL6542054 0.88 HSD11B1 (0.52) HSD11B1POLBHPGDMAPTTP53
SCHEMBL6542067 0.88 HSD11B1 (0.49) HSD11B1POLBHPGDMAPTTP53
SCHEMBL6542210 0.88 HSD11B1 (0.49) HSD11B1POLBHPGDMAPTTP53
SCHEMBL6542070 0.87 HSD11B1 (0.48) HSD11B1POLBHPGDMAPTTP53
SCHEMBL6541178 0.85 HSD11B1 (0.48) HSD11B1POLBHPGDMAPTTP53

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-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 (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-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB HSD11B1 1320/4885POLB 4045/4885HPGD 1103/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB HSD11B1 1320/4885POLB 4045/4885HPGD 1103/4885

“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.