SCHEMBL7068563

SCHEMBL7068563

COc1ccc(CN2C(C(=O)O)=C(c3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.53
EDNRA P25101 10/20 0.51
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL7069105 0.91 EDNRA (0.50) EDNRBEDNRAALDH1A1L3MBTL1MAPT
SCHEMBL7065442 0.90 ALDH1A1 (0.54) EDNRBEDNRAALDH1A1L3MBTL1MAPT
SCHEMBL7069884 0.90 GAA (0.48) EDNRBEDNRAALDH1A1L3MBTL1MAPT
SCHEMBL7067033 0.89 EDNRB (0.55) EDNRBEDNRAL3MBTL1
SCHEMBL7065399 0.89 EDNRB (0.55) EDNRBEDNRAALDH1A1L3MBTL1
SCHEMBL7831616 0.88 EDNRB (0.49) EDNRBEDNRAALDH1A1L3MBTL1MAPT
SCHEMBL7069879 0.88 EDNRA (0.47) EDNRBEDNRAALDH1A1L3MBTL1HTT
SCHEMBL7069387 0.88 EDNRA (0.51) EDNRBEDNRAALDH1A1L3MBTL1HTT
SCHEMBL7069237 0.87 ALDH1A1 (0.51) EDNRBEDNRAALDH1A1L3MBTL1MAPT
SCHEMBL7071205 0.87 ALDH1A1 (0.51) EDNRBEDNRAALDH1A1L3MBTL1MAPT

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 1/4885ALDH1A1 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.