SCHEMBL6289766

SCHEMBL6289766

CCOC(=O)C(C)(C)c1ccc(S(=O)(=O)Nc2c(-c3ccc4c(c3)OCO4)c(OCC3CC3)nn2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CRHR1 P34998 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
SIRT1 Q96EB6 1/20 0.36
KDM4E B2RXH2 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CHRM2 P08172 2/20 0.34
POLB P06746 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
SCHEMBL6289856 0.91 KDM4E (0.37) ALDH1A1CRHR1KDM4EHPGD
SCHEMBL6289852 0.91 ALDH1A1 (0.42) ALDH1A1SIRT2SIRT1KDM4EJAK2
SCHEMBL6289621 0.79 EDNRA (0.48) ALDH1A1KDM4E
SCHEMBL6289631 0.78 EDNRA (0.41) ALDH1A1KDM4E
SCHEMBL6293072 0.76 MAPT (0.44) ALDH1A1KDM4EHPGD
SCHEMBL6292741 0.75 SIRT2 (0.36) ALDH1A1SIRT2SIRT1KDM4EJAK2
SCHEMBL6289777 0.74 MAPT (0.44) ALDH1A1KDM4EHPGD
SCHEMBL6292822 0.74 EDNRB (0.43)
SCHEMBL6288973 0.74 EDNRB (0.53)
SCHEMBL6288929 0.74 EDNRB (0.43)

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 ALDH1A1 1527/4885CRHR1 97/4885SIRT2 2597/4885

“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.