SCHEMBL6542551

SCHEMBL6542551

O=C1c2ccccc2S(=O)(=O)N1c1ccccc1Br

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
CA12 O43570 11/20 0.54
CA2 P00918 6/20 0.54
CA9 Q16790 10/20 0.50
ELANE P08246 4/20 0.50
CTSG P08311 1/20 0.50
CEL P19835 1/20 0.50
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL6542403 0.80 LMNA (0.65) LMNACA12CA2CA9ELANE
SCHEMBL6542398 0.76 LMNA (0.60) LMNACA12CA2CA9ELANE
SCHEMBL30367636 0.75 HPGD (0.58) LMNACA12CA2CA9ELANE
SCHEMBL6903338 0.75 HPGD (0.58) LMNACA12CA2CA9ELANE
Hydrogen Sulfide SCHEMBL29165723 0.74 HPGD (0.57) LMNACA12CA2CA9ELANE
SCHEMBL9126721 0.73 ELANE (0.54) LMNACA12CA2CA9ELANE
SCHEMBL6542499 0.71 HSD11B1 (0.47) LMNAELANEHPGD
SCHEMBL11098950 0.71 ELANE (0.77) LMNACA12CA2CA9ELANE
SCHEMBL17169691 0.71 LMNA (0.54) LMNACA12CA2CA9ELANE
Saccharin Calcium SCHEMBL29394622 0.71 CA9 (0.60) LMNACA12CA2CA9ELANE

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-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

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 LMNA 2078/4885CA12 1604/4885CA2 144/4885
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB LMNA 2078/4885CA12 1604/4885CA2 144/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB LMNA 2078/4885CA12 1604/4885CA2 144/4885

“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.