SCHEMBL6288912

SCHEMBL6288912

CC(=O)OCCOc1nn(Cc2ccccc2)c(N(S(=O)(=O)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1-c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.40
EDNRA P25101 1/20 0.40
PTGS2 P35354 1/20 0.37
CYP19A1 P11511 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BMP1 P13497 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
AGTR1 P30556 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
SCHEMBL6289616 0.87 CYP19A1 (0.42) EDNRBEDNRACYP19A1SMN1; SMN2NPSR1
SCHEMBL6293046 0.86 EDNRA (0.44) EDNRBEDNRA
SCHEMBL6293264 0.84 EDNRB (0.39) EDNRBEDNRA
SCHEMBL6289659 0.78 EDNRA (0.42) EDNRBEDNRASMN1; SMN2
SCHEMBL6289623 0.77 EDNRB (0.40) EDNRBEDNRAGAAMAPK1
SCHEMBL6289740 0.76 POLB (0.49) PTGS2CYP19A1SMN1; SMN2TDP1GAA
SCHEMBL6293259 0.75 EDNRA (0.44) EDNRBEDNRAPTGS2
SCHEMBL6293096 0.74 EDNRA (0.60) EDNRBEDNRA
SCHEMBL6289699 0.74 EDNRA (0.43) EDNRBEDNRA
SCHEMBL6289771 0.72 KEAP1 (0.36) EDNRBEDNRABMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EDNRB 1/4885EDNRA 2/4885PTGS2 698/4885

“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.