SCHEMBL6289852

SCHEMBL6289852

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 1/20 0.40
EDNRA P25101 4/20 0.40
KDM4E B2RXH2 2/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
EDNRB P24530 2/20 0.35
TP53 P04637 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL6289766 0.91 ALDH1A1 (0.41) ALDH1A1SIRT2SIRT1KDM4EJAK2
SCHEMBL6289621 0.89 EDNRA (0.48) ALDH1A1EDNRAKDM4EEDNRB
SCHEMBL6289631 0.88 EDNRA (0.41) ALDH1A1EDNRAKDM4EEDNRB
SCHEMBL6289856 0.81 KDM4E (0.37) ALDH1A1EDNRAKDM4EHPGD
SCHEMBL6292741 0.79 SIRT2 (0.36) ALDH1A1SIRT2SIRT1KDM4EJAK2
SCHEMBL6292724 0.79 EDNRB (0.46) EDNRAEDNRB
SCHEMBL6292822 0.78 EDNRB (0.43) EDNRB
SCHEMBL6288929 0.78 EDNRB (0.43) EDNRB
SCHEMBL6288973 0.78 EDNRB (0.53) EDNRAEDNRB
SCHEMBL6293072 0.78 MAPT (0.44) ALDH1A1KDM4EHPGD

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 1527/4885SIRT2 2597/4885SIRT1 1404/4885

“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.