SCHEMBL7065689

SCHEMBL7065689

COc1ccc2c(c1)C(Sc1ccc3c(c1)OCO3)=C(C(=O)O)N(Cc1ccc3c(c1)OCO3)S2(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.49
EDNRA P25101 14/20 0.49
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 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
SCHEMBL7069254 0.94 EDNRB (0.49) EDNRBEDNRAALDH1A1HTTHPGD
SCHEMBL7066520 0.90 EDNRB (0.46) EDNRBEDNRAALDH1A1HTTL3MBTL1
SCHEMBL7070841 0.90 EDNRB (0.56) EDNRBEDNRAHPGDSMN1; SMN2
SCHEMBL7068365 0.88 EDNRB (0.58) EDNRBEDNRAALDH1A1HTTL3MBTL1
SCHEMBL7068381 0.88 EDNRB (0.51) EDNRBEDNRAALDH1A1HTTHPGD
SCHEMBL7071220 0.87 ALDH1A1 (0.54) EDNRBEDNRAALDH1A1HTTHPGD
SCHEMBL7065375 0.85 EDNRB (0.55) EDNRBEDNRAALDH1A1HTTL3MBTL1
SCHEMBL7069708 0.84 ALDH1A1 (0.51) EDNRBEDNRAALDH1A1HTTHPGD
SCHEMBL7068590 0.84 ALDH1A1 (0.51) EDNRBEDNRAALDH1A1HTTHPGD
SCHEMBL7067033 0.84 EDNRB (0.55) EDNRBEDNRAHPGDL3MBTL1NPC1

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
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-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-10 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
EP-0811001-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-10 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.