SCHEMBL6322172

SCHEMBL6322172

CC(C)c1ccc(S(=O)(=O)NC(=O)C(Cc2ccc(C(=O)O)cc2)c2ccc3nsnc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
EDNRA P25101 4/20 0.39
EDNRB P24530 3/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.36
TP53 P04637 1/20 0.36
COPS5 Q92905 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GHSR Q92847 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
SCHEMBL6320795 0.91 EDNRA (0.39) EDNRAEDNRBITGB3ITGAVALDH1A1
SCHEMBL8710102 0.91 EPHX2 (0.42) TDP1ITGB3ITGAVL3MBTL1MEN1
SCHEMBL8711325 0.90 EGFR (0.40) ITGB3ITGAVMEN1KMT2ASMN1; SMN2
SCHEMBL8710009 0.90 GAA (0.41) TDP1EDNRBITGB3ITGAVALDH1A1
SCHEMBL8711199 0.90 MRGPRX4 (0.41) EDNRAEDNRBITGB3ITGAVMEN1
SCHEMBL8712259 0.88 BMP1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8712035 0.87 EDNRA (0.39) TDP1EDNRAITGB3ITGAVL3MBTL1
SCHEMBL8709961 0.86 ITGB3 (0.36) EDNRAEDNRBITGB3ITGAVALDH1A1
SCHEMBL8708878 0.86 LARS1 (0.43) ITGB3ITGAVTP53GHSR
SCHEMBL8711054 0.85 EDNRA (0.49) EDNRAEDNRBALDH1A1

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 3 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
WO-1998041515-A1 ENDOTHOLIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-24 WO 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 TDP1 3562/4885EDNRA 1/4885EDNRB 2/4885

“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.