SCHEMBL7065776

SCHEMBL7065776

COc1cc(CN2C(C(=O)O)=C(c3ccc4c(c3)OCO4)c3ccccc3S2(=O)=O)cc2c1OCO2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.50
EDNRB P24530 10/20 0.45
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB1 P08183 1/20 0.41
MCHR1 Q99705 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
SCHEMBL7069879 0.92 EDNRA (0.47) EDNRAEDNRBALDH1A1L3MBTL1MAPK1
SCHEMBL7831152 0.89 EDNRB (0.45) EDNRAEDNRBALDH1A1L3MBTL1LMNA
SCHEMBL7069387 0.88 EDNRA (0.51) EDNRAEDNRBALDH1A1L3MBTL1LMNA
SCHEMBL7065442 0.87 ALDH1A1 (0.54) EDNRAEDNRBALDH1A1L3MBTL1LMNA
SCHEMBL7068563 0.86 EDNRB (0.53) EDNRAEDNRBALDH1A1L3MBTL1HTT
SCHEMBL7069105 0.86 EDNRA (0.50) EDNRAEDNRBALDH1A1L3MBTL1LMNA
SCHEMBL7071566 0.85 ALDH1A1 (0.48) EDNRAEDNRBALDH1A1L3MBTL1LMNA
SCHEMBL7065702 0.85 EDNRB (0.51) EDNRAEDNRBALDH1A1L3MBTL1LMNA
SCHEMBL7071205 0.84 ALDH1A1 (0.51) EDNRAEDNRBALDH1A1L3MBTL1LMNA
SCHEMBL7069237 0.84 ALDH1A1 (0.51) EDNRAEDNRBALDH1A1L3MBTL1LMNA

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 6 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
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 1/4885EDNRB 2/4885ALDH1A1 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.