SCHEMBL7065373

SCHEMBL7065373

CN1C(C(=O)O)=C(c2ccc3c(c2)OCO3)c2ccccc2S1(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.53
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.41
PTPRC P08575 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
EDNRB P24530 3/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL7069874 0.85 EDNRA (0.56) EDNRAPTGS2ALDH1A1L3MBTL1PTPRC
SCHEMBL6541815 0.84 EDNRA (0.68) EDNRAPTGS2ALDH1A1KDM4EL3MBTL1
SCHEMBL6541192 0.84 EDNRA (0.60) EDNRAPTGS2ALDH1A1KDM4EL3MBTL1
SCHEMBL7065430 0.83 EDNRA (0.51) EDNRAPTGS2ALDH1A1KDM4EL3MBTL1
SCHEMBL6541702 0.83 EDNRA (0.55) EDNRAPTGS2ALDH1A1KDM4EL3MBTL1
SCHEMBL6541139 0.83 EDNRA (0.59) EDNRAPTGS2ALDH1A1KDM4EL3MBTL1
SCHEMBL7069105 0.83 EDNRA (0.50) EDNRAALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL6541828 0.82 EDNRA (0.60) EDNRAPTGS2ALDH1A1KDM4EL3MBTL1
SCHEMBL6542071 0.82 EDNRA (0.58) EDNRAPTGS2ALDH1A1KDM4EL3MBTL1
SCHEMBL7065442 0.82 ALDH1A1 (0.54) EDNRAALDH1A1KDM4EL3MBTL1MAPT

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
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic DOOLEY DAVID JAMES (US) 2003-12-18 US claimed
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP claimed
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO claimed
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic DOOLEY DAVID JAMES (US) 2003-12-18 US disclosed
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP disclosed
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 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 (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-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic EDNRA, EDNRB, ECE1 EDNRA 1/4885PTGS2 433/4885ALDH1A1 3140/4885

“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.