SCHEMBL6289260

SCHEMBL6289260

CC(C)c1ccc(S(=O)(=O)Nc2c(-c3ccc4c(c3)OCO4)c(OCCOc3ncc(Br)cn3)nn2C)nc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.40
EDNRB P24530 9/20 0.40
PIK3CD O00329 1/20 0.34
SLC6A2 P23975 1/20 0.34
TSPO P30536 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL6293113 0.93 LMNA (0.34) EDNRAEDNRBPIK3CD
SCHEMBL6289272 0.92 PIK3CD (0.35) EDNRAEDNRBPIK3CD
SCHEMBL6288945 0.89 LMNA (0.38) EDNRAEDNRBPIK3CD
SCHEMBL6292776 0.88 LMNA (0.37) EDNRAEDNRBPIK3CD
SCHEMBL6292702 0.86 FYN (0.34) EDNRBPIK3CD
SCHEMBL6289296 0.86 EDNRB (0.45) EDNRAEDNRB
SCHEMBL6288973 0.82 EDNRB (0.53) EDNRAEDNRB
SCHEMBL6293273 0.78 FBP1 (0.36) PIK3CDDRD3
SCHEMBL6292752 0.78 EDNRA (0.40) EDNRAEDNRB
SCHEMBL6289170 0.78 EDNRB (0.39) EDNRAEDNRB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962923-B2 Pyrazole compositions PFIZER INC. (US) 2005-11-08 US claimed
US-20030232848-A1 Pyrazole compositions PFIZER INC. 2003-12-18 US claimed
US-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US claimed
EP-1072597-A1 Pyrazoles and their use as endothelin antagonists Pfizer Limited (GB) 2001-01-31 EP claimed
US-6962923-B2 Pyrazole compositions PFIZER INC. (US) 2005-11-08 US disclosed
US-20030232848-A1 Pyrazole compositions PFIZER INC. 2003-12-18 US disclosed
US-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US disclosed
EP-1072597-A1 Pyrazoles and their use as endothelin antagonists Pfizer Limited (GB) 2001-01-31 EP 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-20030232848-A1 Pyrazole compositions EDNRB, EDNRA, AGTR1 EDNRA 2/4885EDNRB 1/4885PIK3CD 1459/4885

“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.