SCHEMBL7068110

SCHEMBL7068110

O=C(O)C1=C(c2ccc3c(c2)OCO3)c2ccccc2S(=O)(=O)N1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.47
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.43
HSP90AA1 P07900 2/20 0.43
RAB9A P51151 2/20 0.43
PAX8 Q06710 1/20 0.43
EDNRB P24530 3/20 0.42
XBP1 P17861 1/20 0.41
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
FABP4 P15090 2/20 0.39
FABP3 P05413 1/20 0.39
FABP5 Q01469 1/20 0.39
PTGS2 P35354 1/20 0.38
GAA P10253 1/20 0.38
SLC6A9 P48067 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL7069102 0.93 EDNRA (0.47) EDNRAALDH1A1L3MBTL1HTTNPC1
SCHEMBL7069105 0.90 EDNRA (0.50) EDNRAALDH1A1L3MBTL1HTTNPC1
SCHEMBL7065442 0.87 ALDH1A1 (0.54) EDNRAALDH1A1L3MBTL1HTTNPC1
SCHEMBL7069237 0.85 ALDH1A1 (0.51) EDNRAALDH1A1L3MBTL1HTTNPC1
SCHEMBL7071205 0.85 ALDH1A1 (0.51) EDNRAALDH1A1L3MBTL1HTTNPC1
SCHEMBL7068563 0.84 EDNRB (0.53) EDNRAALDH1A1L3MBTL1HTTEDNRB
SCHEMBL7065430 0.83 EDNRA (0.51) EDNRAALDH1A1L3MBTL1HTTNPC1
SCHEMBL6542423 0.83 EDNRA (0.57) EDNRAALDH1A1L3MBTL1HTTNPC1
SCHEMBL7070860 0.83 ALDH1A1 (0.44) EDNRAALDH1A1L3MBTL1HTTNPC1
SCHEMBL6542071 0.82 EDNRA (0.58) EDNRAALDH1A1L3MBTL1HTTNPC1

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-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
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 EDNRA 1/4885ALDH1A1 3140/4885L3MBTL1 4352/4885

“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.