SCHEMBL6542398

SCHEMBL6542398

O=C1c2ccccc2S(=O)(=O)N1c1ccccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
CA12 O43570 10/20 0.57
CA9 Q16790 9/20 0.57
CA1 P00915 3/20 0.57
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
HTR7 P34969 1/20 0.53
HTR6 P50406 1/20 0.53
ELANE P08246 4/20 0.50
CTSG P08311 1/20 0.50
CEL P19835 1/20 0.50
CA2 P00918 2/20 0.46
EDNRA P25101 1/20 0.44
HPGD P15428 1/20 0.41

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 0.76 LMNA (0.65) LMNACA12CA9CA1HTR1A
SCHEMBL6542551 0.76 LMNA (0.65) LMNACA12CA9ELANECTSG
SCHEMBL6541180 0.73 EDNRA (0.47) CA12CA9CA1ELANEEDNRA
SCHEMBL30367636 0.72 HPGD (0.58) LMNACA12CA9DRD2ELANE
SCHEMBL6903338 0.72 HPGD (0.58) LMNACA12CA9DRD2ELANE
SCHEMBL11146263 0.72 MASP2 (0.52) LMNACA12CA9CA1ELANE
SCHEMBL11146254 0.72 SIRT6 (0.49) LMNACA12CA9CA1ELANE
SCHEMBL11098950 0.71 ELANE (0.77) LMNACA12CA9CA1ELANE
SCHEMBL6541145 0.71 EDNRA (0.66) LMNACA12CA9CA1HTR1A
Hydrogen Sulfide SCHEMBL29165723 0.70 HPGD (0.57) LMNACA12CA9DRD2ELANE

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 8 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
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 LMNA 2078/4885CA12 1604/4885CA9 1425/4885
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB LMNA 2078/4885CA12 1604/4885CA9 1425/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB LMNA 2078/4885CA12 1604/4885CA9 1425/4885

“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.