SCHEMBL6313613

SCHEMBL6313613

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3c2sc2ccccc23)cc1OCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.49
EDNRA P25101 5/20 0.49
PTPN1 P18031 7/20 0.41
MAPT P10636 1/20 0.38
MIF P14174 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL6663213 0.92 EDNRB (0.44) EDNRBEDNRAPTPN1MAPTMIF
SCHEMBL6313751 0.86 EDNRB (0.59) EDNRBEDNRAPTPN1MAPTLMNA
SCHEMBL6314849 0.86 EDNRB (0.62) EDNRBEDNRA
SCHEMBL6314876 0.85 EDNRB (0.51) EDNRBEDNRAPTPN1MAPTHTT
SCHEMBL6313623 0.78 EDNRB (0.51) EDNRBEDNRA
SCHEMBL6314856 0.78 EDNRB (0.52) EDNRBEDNRALMNATSHR
SCHEMBL6319417 0.78 EDNRB (0.50) EDNRBEDNRA
SCHEMBL6658446 0.77 EDNRB (0.61) EDNRBEDNRAMAPTTP53
SCHEMBL8551759 0.74 EDNRB (0.62) EDNRBEDNRATP53
SCHEMBL8546347 0.73 EDNRB (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US claimed
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 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-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885PTPN1 3297/4885

“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.