SCHEMBL7069102

SCHEMBL7069102

O=C(O)C1=C(c2ccc3c(c2)OCO3)c2ccccc2S(=O)(=O)N1Cc1ccccc1Cl

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 1/20 0.44
SLC16A3 O15427 2/20 0.43
SLC16A1 P53985 2/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.43
HSP90AA1 P07900 2/20 0.43
PAX8 Q06710 1/20 0.43
EDNRB P24530 3/20 0.42
TSHR P16473 2/20 0.42
XBP1 P17861 1/20 0.41
POLB P06746 1/20 0.41
FABP4 P15090 2/20 0.41
FABP3 P05413 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
SCHEMBL7068110 0.93 EDNRA (0.47) EDNRAALDH1A1L3MBTL1RAB9AKDM4E
SCHEMBL7069105 0.90 EDNRA (0.50) EDNRAALDH1A1L3MBTL1RAB9AKDM4E
SCHEMBL7065442 0.87 ALDH1A1 (0.54) EDNRAALDH1A1L3MBTL1RAB9AKDM4E
SCHEMBL7827165 0.86 SLC16A3 (0.44) EDNRAALDH1A1L3MBTL1SLC16A3SLC16A1
SCHEMBL7069237 0.85 ALDH1A1 (0.51) EDNRAALDH1A1L3MBTL1RAB9AKDM4E
SCHEMBL7071205 0.85 ALDH1A1 (0.51) EDNRAALDH1A1L3MBTL1RAB9AKDM4E
SCHEMBL7068563 0.84 EDNRB (0.53) EDNRAALDH1A1L3MBTL1MAPTHTT
SCHEMBL6542071 0.83 EDNRA (0.58) EDNRAALDH1A1L3MBTL1RAB9AKDM4E
SCHEMBL7065430 0.83 EDNRA (0.51) EDNRAALDH1A1L3MBTL1RAB9AKDM4E
SCHEMBL7068358 0.83 ALDH1A1 (0.44) EDNRAALDH1A1L3MBTL1SLC16A3SLC16A1

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.