SCHEMBL7068381

SCHEMBL7068381

O=C(O)C1=C(Sc2ccc3c(c2)OCO3)c2cc3c(cc2S(=O)(=O)N1Cc1ccc2c(c1)OCO2)OCO3

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.51
EDNRA P25101 10/20 0.51
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CMA1 P23946 1/20 0.41
NR1H4 Q96RI1 1/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7071220 0.90 ALDH1A1 (0.54) EDNRBEDNRAHPGDALDH1A1HTT
SCHEMBL7070841 0.90 EDNRB (0.56) EDNRBEDNRAHPGDSMN1; SMN2
SCHEMBL7065689 0.88 EDNRB (0.49) EDNRBEDNRAHPGDALDH1A1HTT
SCHEMBL7068590 0.88 ALDH1A1 (0.51) EDNRBEDNRAHPGDALDH1A1HTT
SCHEMBL7069708 0.88 ALDH1A1 (0.51) EDNRBEDNRAHPGDALDH1A1HTT
SCHEMBL7069254 0.88 EDNRB (0.49) EDNRBEDNRAHPGDALDH1A1HTT
SCHEMBL7068523 0.85 ALDH1A1 (0.48) EDNRBEDNRAALDH1A1HTTL3MBTL1
SCHEMBL7065375 0.82 EDNRB (0.55) EDNRBEDNRAALDH1A1HTTL3MBTL1
SCHEMBL7068365 0.82 EDNRB (0.58) EDNRBEDNRAALDH1A1HTTL3MBTL1
SCHEMBL7340169 0.82 ALDH1A1 (0.51) EDNRBEDNRAHPGDALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP 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

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 EDNRB 2/4885EDNRA 1/4885HPGD 1311/4885

“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.