SCHEMBL7069879

SCHEMBL7069879

COc1cc(CN2C(C(=O)O)=C(c3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.47
EDNRB P24530 7/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7065776 0.92 EDNRA (0.50) EDNRAEDNRBALDH1A1L3MBTL1MAPK1
SCHEMBL7071566 0.92 ALDH1A1 (0.48) EDNRAEDNRBALDH1A1L3MBTL1MAPK1
SCHEMBL7817363 0.88 EDNRA (0.46) EDNRAEDNRBPOLBALDH1A1L3MBTL1
SCHEMBL7069387 0.88 EDNRA (0.51) EDNRAEDNRBALDH1A1L3MBTL1KDM4E
SCHEMBL7068563 0.88 EDNRB (0.53) EDNRAEDNRBALDH1A1L3MBTL1HTT
SCHEMBL7069105 0.87 EDNRA (0.50) EDNRAEDNRBPOLBALDH1A1L3MBTL1
SCHEMBL7065442 0.86 ALDH1A1 (0.54) EDNRAEDNRBPOLBALDH1A1L3MBTL1
SCHEMBL7069871 0.84 EDNRB (0.46) EDNRAEDNRBPOLBALDH1A1L3MBTL1
SCHEMBL7069237 0.84 ALDH1A1 (0.51) EDNRAEDNRBPOLBALDH1A1L3MBTL1
SCHEMBL7071205 0.84 ALDH1A1 (0.51) EDNRAEDNRBPOLBALDH1A1L3MBTL1

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
EP-0811001-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-10 EP 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 1/4885EDNRB 2/4885POLB 4459/4885

“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.