SCHEMBL6712227

SCHEMBL6712227

COc1cc(OC)nc(O[C@@H](NC(=O)OCc2ccccc2)C(C(=O)O)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 13/20 0.51
▸ EDNRA P25101 13/20 0.51
▸ TACR1 P25103 1/20 0.43
▸ CTSL P07711 2/20 0.42
▸ CTSB P07858 2/20 0.42
▸ CTSS P25774 2/20 0.42
▸ CTSK P43235 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX15 P16050 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
SCHEMBL6709092 0.82 EDNRB (0.49) EDNRBEDNRAALDH1A1
SCHEMBL6708689 0.82 EDNRB (0.47) EDNRBEDNRA
SCHEMBL6708978 0.79 EDNRB (0.46) EDNRBEDNRA
SCHEMBL6710406 0.78 EDNRB (0.56) EDNRBEDNRA
SCHEMBL6712225 0.78 EDNRB (0.62) EDNRBEDNRA
SCHEMBL6712119 0.77 EDNRB (0.45) EDNRBEDNRA
SCHEMBL6712034 0.77 EDNRB (0.61) EDNRBEDNRA
SCHEMBL8200442 0.73 EDNRB (0.64) EDNRBEDNRA
SCHEMBL6707532 0.71 EDNRB (0.51) EDNRBEDNRA
SCHEMBL8100747 0.70 EDNRB (0.67) EDNRBEDNRA

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-20040034076-A1 Novel carbamates and carbamides, production and use thereof as endothelin receptor antagonists ABBOTT GMBH & CO. KG (DE) 2004-02-19 — — 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-20040034076-A1 Novel carbamates and carbamides, production and use thereof as endothelin receptor antagonists EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885TACR1 8/4885

“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.

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