SCHEMBL7069874

SCHEMBL7069874

O=C(O)C1=C(c2ccc3c(c2)OCO3)c2ccccc2S(=O)(=O)N1c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.56
EDNRB P24530 6/20 0.46
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTPRC P08575 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
DHODH Q02127 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HCRTR2 O43614 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
SCHEMBL7829178 0.89 EDNRA (0.44) EDNRAEDNRBPTGS2ALDH1A1
SCHEMBL6541815 0.89 EDNRA (0.68) EDNRAEDNRBPTGS2ALDH1A1L3MBTL1
SCHEMBL7336545 0.88 EDNRA (0.51) EDNRAEDNRBHCRTR2
SCHEMBL6541139 0.88 EDNRA (0.59) EDNRAEDNRBPTGS2ALDH1A1L3MBTL1
SCHEMBL6541726 0.87 EDNRA (0.58) EDNRAEDNRBPTGS2ALDH1A1L3MBTL1
SCHEMBL6541828 0.87 EDNRA (0.60) EDNRAEDNRBPTGS2ALDH1A1L3MBTL1
SCHEMBL6541192 0.87 EDNRA (0.60) EDNRAEDNRBPTGS2ALDH1A1L3MBTL1
SCHEMBL6542071 0.87 EDNRA (0.58) EDNRAEDNRBPTGS2ALDH1A1L3MBTL1
SCHEMBL6541430 0.86 EDNRA (0.58) EDNRAEDNRBPTGS2ALDH1A1L3MBTL1
SCHEMBL6542147 0.86 EDNRA (0.57) EDNRAEDNRBPTGS2ALDH1A1L3MBTL1

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 15 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-4087534-A N-haloalkylmio urazole pesticides OVADIA DAVID 1978-05-02 US 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
EP-0500209-B1 Pesticidal 1-(2-pyridyl)pyrazoles RHONE POULENC AGROCHIMIE (FR) 1997-09-17 EP disclosed
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO disclosed
US-5306694-A Miticides, nematocides, aphicides, insecticides; applying to plants RHONE-POULENC INC. (US) 1994-04-26 US disclosed
EP-0500209-A1 Pesticidal 1-(2-pyridyl)pyrazoles RHONE-POULENC AGROCHIMIE (FR) 1992-08-26 EP disclosed
US-4854965-A SUBSTITUTED 2,4-DIOXO-AND 2,4-DITHIO-1,3-DIHYDROQUINAZOLINES; CONTROLLING BROAD-LEAFED WEEDS IN CEREAL CROPS MAKHTESHIM CHEMICAL WORKS, LTD. (IL) 1989-08-08 US disclosed
EP-0254049-A2 Herbicidal compositions MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 1988-01-27 EP disclosed
US-4551458-A 1-HALOALKYLTHIO DERIVATIVES MAKHTESHIM CHEMICAL WORKS, LTD. (IL) 1985-11-05 US disclosed
US-4087534-A N-haloalkylmio urazole pesticides OVADIA DAVID 1978-05-02 US 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 1/4885EDNRB 2/4885PTGS2 433/4885

“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.