SCHEMBL6542428

SCHEMBL6542428

COC(=O)CN(c1onc(C)c1C)S(=O)(=O)c1ccccc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
NR1I2 O75469 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.39
EDNRA P25101 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 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
SCHEMBL6542279 0.78 POLB (0.56) POLBHTTCA1CA2CA5A
SCHEMBL6541147 0.75 NPSR1 (0.46) POLBTSHRCA1CA2CA5A
SCHEMBL6542729 0.74 CA1 (0.47) POLBTSHRCA1CA2CA5A
SCHEMBL6542523 0.74 CA1 (0.47) CA1CA2CA5ACA9LMNA
SCHEMBL6542052 0.74 CA1 (0.47) POLBTSHRCA1CA2CA5A
SCHEMBL6542027 0.74 CA1 (0.50) POLBTSHRCA1CA2CA5A
SCHEMBL6542716 0.73 CA1 (0.45) POLBTSHRCA1CA2CA5A
SCHEMBL6542409 0.72 CA1 (0.44) CA1CA2CA5ACA9NR1I2
SCHEMBL6542527 0.72 CA1 (0.44) POLBCYP3A4CYP2C9CYP2C19CA1
SCHEMBL6541219 0.72 CA1 (0.44) CA1CA2CA5ACA9NR1I2

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 10 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
EP-1009743-A1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER-LAMBERT COMPANY (US) 2000-06-21 EP disclosed
WO-1999012916-A1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER-LAMBERT COMPANY (US) 1999-03-18 WO 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 BRD4 81/4885POLB 4045/4885HTT 1623/4885
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB BRD4 81/4885POLB 4045/4885HTT 1623/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB BRD4 81/4885POLB 4045/4885HTT 1623/4885

“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.