SCHEMBL7069708

SCHEMBL7069708

O=C(O)C1=C(Sc2ccc3c(c2)OCO3)c2ccccc2S(=O)(=O)N1Cc1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HTT P42858 1/20 0.51
EDNRB P24530 7/20 0.50
EDNRA P25101 7/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
NPC1 O15118 2/20 0.47
HSP90AA1 P07900 2/20 0.47
RAB9A P51151 2/20 0.47
PAX8 Q06710 1/20 0.47
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.44
XBP1 P17861 1/20 0.44
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7068590 1.00 ALDH1A1 (0.51) ALDH1A1HTTEDNRBEDNRAL3MBTL1
SCHEMBL7071220 0.97 ALDH1A1 (0.54) ALDH1A1HTTEDNRBEDNRAL3MBTL1
SCHEMBL7068523 0.93 ALDH1A1 (0.48) ALDH1A1HTTEDNRBEDNRAL3MBTL1
SCHEMBL7340169 0.89 ALDH1A1 (0.51) ALDH1A1HTTEDNRBEDNRAL3MBTL1
SCHEMBL7065375 0.88 EDNRB (0.55) ALDH1A1HTTEDNRBEDNRAL3MBTL1
SCHEMBL7066520 0.88 EDNRB (0.46) ALDH1A1HTTEDNRBEDNRAL3MBTL1
SCHEMBL7068381 0.88 EDNRB (0.51) ALDH1A1HTTEDNRBEDNRAL3MBTL1
SCHEMBL7828200 0.87 ALDH1A1 (0.47) ALDH1A1HTTEDNRBEDNRAL3MBTL1
SCHEMBL7817828 0.87 ALDH1A1 (0.47) ALDH1A1HTTEDNRBEDNRAL3MBTL1
SCHEMBL7068365 0.87 EDNRB (0.58) ALDH1A1HTTEDNRBEDNRAL3MBTL1

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 ALDH1A1 3140/4885HTT 1772/4885EDNRB 2/4885

“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.