SCHEMBL7066520

SCHEMBL7066520

COc1ccc(CN2C(C(=O)O)=C(Sc3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.46
EDNRA P25101 10/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.43
SCN9A Q15858 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 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
SCHEMBL7068523 0.91 ALDH1A1 (0.48) EDNRBEDNRAALDH1A1L3MBTL1MAPT
SCHEMBL7071220 0.90 ALDH1A1 (0.54) EDNRBEDNRAALDH1A1L3MBTL1MAPT
SCHEMBL7068365 0.90 EDNRB (0.58) EDNRBEDNRAALDH1A1L3MBTL1MAPT
SCHEMBL7065689 0.90 EDNRB (0.49) EDNRBEDNRAALDH1A1L3MBTL1HTT
SCHEMBL7069254 0.89 EDNRB (0.49) EDNRBEDNRAALDH1A1L3MBTL1MAPT
SCHEMBL7065375 0.89 EDNRB (0.55) EDNRBEDNRAALDH1A1L3MBTL1MAPT
SCHEMBL7823695 0.89 EDNRB (0.43) EDNRBEDNRAALDH1A1L3MBTL1MAPT
SCHEMBL7069871 0.89 EDNRB (0.46) EDNRBEDNRAALDH1A1L3MBTL1MAPT
SCHEMBL7069708 0.88 ALDH1A1 (0.51) EDNRBEDNRAALDH1A1L3MBTL1MAPT
SCHEMBL7068590 0.88 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1289558-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY LLC (US) 2003-03-12 EP disclosed
WO-2001091736-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY (US) 2001-12-06 WO 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.