SCHEMBL7068384

SCHEMBL7068384

O=C(O)C1=C(Sc2ccc3c(c2)OCO3)c2cc3c(c(Cc4ccc5c(c4)OCO5)c2S(=O)(=O)N1)OCO3

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.42
EDNRA P25101 8/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.35
IGFBP3 P17936 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
VKORC1 Q9BQB6 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL8797162 0.89 EDNRB (0.34) EDNRBEDNRA
SCHEMBL7336011 0.76 SMN1; SMN2 (0.41) MEN1KMT2ACYP3A4ALDH1A1VKORC1
SCHEMBL7342903 0.71 SMN1; SMN2 (0.35) MEN1KMT2AALDH1A1
SCHEMBL7344975 0.68 HSP90AA1 (0.38) EDNRBEDNRAALDH1A1HPGD
SCHEMBL7068381 0.66 EDNRB (0.51) EDNRBEDNRAMEN1KMT2AALDH1A1
SCHEMBL7071220 0.63 ALDH1A1 (0.54) EDNRBEDNRAKMT2AALDH1A1HPGD
SCHEMBL7339610 0.62 HSP90AA1 (0.36) EDNRBEDNRAMEN1KMT2AALDH1A1
SCHEMBL7068590 0.61 ALDH1A1 (0.51) EDNRBEDNRAKMT2AALDH1A1HPGD
SCHEMBL8799145 0.61 TARBP2 (0.31)
SCHEMBL11459812 0.60 ALDH1A1 (0.67) MEN1KMT2ACYP3A4ALDH1A1CYP1A2

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 1 patent. 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 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 1/4885MEN1 2668/4885

“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.