SCHEMBL6542525

SCHEMBL6542525

COC(=O)C1=C(c2cc3c(cc2OC)OCO3)c2ccccc2S(=O)(=O)N1c1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.57
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HCRTR2 O43614 1/20 0.38
MAPT P10636 3/20 0.37
SLC22A12 Q96S37 1/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.36
HPGD P15428 1/20 0.36
STK10 O94804 1/20 0.35
SLK Q9H2G2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL6542042 0.92 EDNRA (0.67) EDNRACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6542591 0.88 EDNRA (0.66) EDNRACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6542047 0.88 EDNRA (0.68) EDNRACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6542045 0.86 EDNRA (0.55) EDNRACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6542463 0.83 EDNRA (0.83) EDNRACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7985075 0.82 EDNRA (0.82) EDNRACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6541201 0.80 EDNRA (0.53) EDNRACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL6541350 0.80 EDNRA (0.79) EDNRAHCRTR2MAPTSLC22A12LMNA
SCHEMBL6541319 0.79 EDNRA (0.54) EDNRAMAPTHPGDRBP4TP53
SCHEMBL6541905 0.77 EDNRA (0.78) EDNRARAB9ALMNASMN1; SMN2HPGD

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-6440962-B2 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS WARNER-LAMBERT COMPANY 2002-08-27 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 (1 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-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885CYP1A2 1580/4885CYP3A4 2670/4885

“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.