SCHEMBL6289616

SCHEMBL6289616

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-c1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SLC16A3 O15427 2/20 0.39
SLC16A1 P53985 2/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.37
SCD5 Q86SK9 1/20 0.37
EDNRB P24530 4/20 0.37
EDNRA P25101 3/20 0.37
PDE5A O76074 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36

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
SCHEMBL6288912 0.87 EDNRB (0.40) CYP19A1NPSR1ALDH1A1MAPK1EDNRB
SCHEMBL6292741 0.79 SIRT2 (0.36) CYP19A1ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL6289705 0.79 CYP19A1 (0.49) CYP19A1NPSR1ALDH1A1SLC16A3SLC16A1
SCHEMBL6292787 0.78 EDNRA (0.44) CYP19A1NPSR1ALDH1A1HTTSLC16A3
SCHEMBL6288900 0.78 ALDH1A1 (0.34) NPSR1ALDH1A1HTTEDNRBPTGES
SCHEMBL6293264 0.74 EDNRB (0.39) EDNRBEDNRA
SCHEMBL6293046 0.73 EDNRA (0.44) EDNRBEDNRA
SCHEMBL6289257 0.71 ALDH1A1 (0.35) NPSR1ALDH1A1SLC16A3SLC16A1TSHR
SCHEMBL6288951 0.70 ALDH1A1 (0.35) NPSR1ALDH1A1HTTEDNRBEDNRA
SCHEMBL6289757 0.69 GAA (0.38) ALDH1A1TSHRMAPK1EDNRBMAPT

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 CYP19A1 597/4885NPSR1 818/4885ALDH1A1 1527/4885

“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.