SCHEMBL7070841

SCHEMBL7070841

COc1cc2c(cc1OC)S(=O)(=O)N(Cc1ccc3c(c1)OCO3)C(C(=O)O)=C2Sc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 15/20 0.56
EDNRA P25101 15/20 0.56
HCRTR2 O43614 1/20 0.44
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7068381 0.90 EDNRB (0.51) EDNRBEDNRAHPGDSMN1; SMN2
SCHEMBL7065689 0.90 EDNRB (0.49) EDNRBEDNRAHPGDSMN1; SMN2
SCHEMBL7069254 0.89 EDNRB (0.49) EDNRBEDNRAHPGDSMN1; SMN2TDP1
SCHEMBL7065375 0.88 EDNRB (0.55) EDNRBEDNRAHCRTR2TDP1
SCHEMBL7828613 0.88 EDNRB (0.52) EDNRBEDNRAHCRTR2SMN1; SMN2TDP1
SCHEMBL7071220 0.85 ALDH1A1 (0.54) EDNRBEDNRAHPGDSMN1; SMN2
SCHEMBL7065702 0.84 EDNRB (0.51) EDNRBEDNRAHCRTR2
SCHEMBL7067319 0.83 EDNRB (0.55) EDNRBEDNRAHCRTR2SMN1; SMN2TDP1
SCHEMBL7069871 0.83 EDNRB (0.46) EDNRBEDNRAHCRTR2TDP1
SCHEMBL7067173 0.83 EDNRA (0.45) EDNRBEDNRAHCRTR2SMN1; SMN2

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 EDNRB 2/4885EDNRA 1/4885HCRTR2 172/4885

“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.