SCHEMBL6542549

SCHEMBL6542549

O=C(O)C1=C(O)c2ccccc2S(=O)(=O)N1c1cc2c(cc1Cl)OCO2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.46
PTGES O14684 1/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
KDR P35968 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL6541955 0.87 EDNRA (0.50) EDNRAALDH1A1L3MBTL1HSD11B1USP2
SCHEMBL6542734 0.85 EDNRA (0.40) EDNRAPTGESALDH1A1L3MBTL1HSD11B1
SCHEMBL6542423 0.85 EDNRA (0.57) EDNRAALDH1A1L3MBTL1USP2LMNA
SCHEMBL6542556 0.84 EDNRA (0.37) EDNRAPTGESALDH1A1L3MBTL1HSD11B1
SCHEMBL6541543 0.80 LMNA (0.52) ALDH1A1L3MBTL1LMNAHTTKDM4E
SCHEMBL6541888 0.80 HSD11B1 (0.42) PTGESHSD11B1USP2LMNAKDM4E
SCHEMBL6541343 0.78 EDNRA (0.36) EDNRAPTGESALDH1A1L3MBTL1HSD11B1
SCHEMBL6542071 0.77 EDNRA (0.58) EDNRAALDH1A1L3MBTL1USP2HTT
SCHEMBL6541383 0.76 EDNRA (0.57) EDNRAALDH1A1L3MBTL1USP2HTT
SCHEMBL6542005 0.75 EDNRA (0.56) EDNRAALDH1A1L3MBTL1USP2LMNA

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 3 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 claimed
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2001-11-01 US claimed
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 (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-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB EDNRA 2/4885PTGES 399/4885ALDH1A1 1806/4885

“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.