SCHEMBL6403182

SCHEMBL6403182

CNc1cccc2c(S(=O)(=O)Nc3ccc4nsnc4c3)cccc12

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 2/20 0.71
▸ HTT P42858 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ PTPN5 P54829 2/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ HSPD1 P10809 1/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ HSPE1 P61604 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL6394861 0.89 EDNRA (0.66) EDNRAHTTALDH1A1MAPTKMT2A
SCHEMBL6396091 0.89 EDNRA (0.66) EDNRAHTTALDH1A1MAPTKMT2A
SCHEMBL6397034 0.87 EDNRA (0.64) EDNRAHTTALDH1A1MAPTKMT2A
SCHEMBL6395444 0.85 EDNRA (0.61) EDNRAHTTALDH1A1MAPTKMT2A
SCHEMBL6313638 0.83 EDNRA (1.00) EDNRATSHR
SCHEMBL4201921 0.82 EDNRA (0.98) EDNRATSHR
SCHEMBL6320114 0.73 EDNRA (0.56) EDNRAHTTALDH1A1MAPTKMT2A
SCHEMBL8541050 0.72 PIK3CD (0.57) EDNRAALDH1A1MAPTKMT2ALMNA
SCHEMBL8317641 0.70 EDNRA (0.52) EDNRAHTTALDH1A1MAPTKMT2A
SCHEMBL20355336 0.70 EDNRA (0.52) EDNRAHTTMAPTPTPN5DUSP3

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-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 1/4885HTT 1550/4885ALDH1A1 3248/4885

“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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