SCHEMBL6313421

SCHEMBL6313421

CC(=O)c1cc2c(cc1NC(=O)c1sccc1S(=O)(=O)Nc1ccc3nsnc3c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 15/20 0.66
▸ EDNRB P24530 13/20 0.64
▸ KDM4E B2RXH2 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KLK7 P49862 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL6313203 0.90 EDNRA (0.63) EDNRAEDNRBKDM4ENPC1TP53
SCHEMBL6313378 0.86 EDNRA (0.63) EDNRAEDNRBKDM4ENPC1TP53
SCHEMBL7946892 0.83 EDNRA (0.49) EDNRAEDNRBKDM4ENPC1TP53
SCHEMBL7951402 0.81 EDNRA (0.46) EDNRAEDNRBKDM4ENPC1TP53
SCHEMBL7949358 0.80 EDNRA (0.59) EDNRAEDNRBKDM4ENPC1MAPT
SCHEMBL27535427 0.79 EDNRA (0.66) EDNRAEDNRBKDM4ESMN1; SMN2HSD17B10
SCHEMBL5211709 0.79 EDNRA (1.00) EDNRAEDNRB
SCHEMBL6314152 0.79 EDNRA (0.66) EDNRAEDNRBKDM4ENPC1TP53
SCHEMBL4631821 0.78 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7949184 0.78 EDNRA (0.50) EDNRAEDNRBKDM4ENPC1TP53

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 EDNRA 1/4885EDNRB 2/4885KDM4E 3445/4885

“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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