SCHEMBL6541166

SCHEMBL6541166

COC(=O)c1ccccc1S(=O)(=O)NCC(=O)OCc1ccccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
GAA P10253 3/20 0.43
NPC1 O15118 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
SGMS2 Q8NHU3 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ADAMTS4 O75173 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL6542519 0.84 ALDH1A1 (0.48) PKMGAANPC1HTTALDH1A1
SCHEMBL6542023 0.82 ALDH1A1 (0.64) PKMGAANPC1ALDH1A1KMT2A
SCHEMBL6542050 0.82 ALDH1A1 (0.49) PKMGAANPC1ALDH1A1KMT2A
SCHEMBL6542724 0.82 KMT2A (0.47) PKMGAANPC1HTTALDH1A1
SCHEMBL6542405 0.82 ALDH1A1 (0.47) PKMGAANPC1HTTALDH1A1
SCHEMBL6542712 0.80 ALDH1A1 (0.45) PKMGAANPC1HTTALDH1A1
SCHEMBL6541766 0.79 CA9 (0.46) PKMGAANPC1HTTALDH1A1
Phenylalanine SCHEMBL3853573 0.79 PKM (0.46) PKMGAANPC1ALDH1A1KMT2A
SCHEMBL6541143 0.78 ALDH1A1 (0.46) PKMGAANPC1HTTALDH1A1
SCHEMBL6542578 0.77 ACLY (0.56) GAANPC1ALDH1A1KMT2AMEN1

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 PKM 4170/4885GAA 4471/4885NPC1 2858/4885
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB PKM 4170/4885GAA 4471/4885NPC1 2858/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB PKM 4170/4885GAA 4471/4885NPC1 2858/4885

“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.