SCHEMBL332829

SCHEMBL332829

C[C@H]1C[C@@](C(N)=O)(c2cccc(Sc3ccc(C(=O)c4cnn(C)c4)cc3)c2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.46
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
ENPP2 Q13822 1/20 0.30

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
SCHEMBL332790 0.86 ALOX5 (0.47) ALOX5
SCHEMBL332822 0.83 ALOX5 (0.63) ALOX5
SCHEMBL332922 0.77 ALOX5 (0.48) ALOX5
SCHEMBL7807543 0.76 ALOX5 (0.78) ALOX5
SCHEMBL8781493 0.76 ALOX5 (0.78) ALOX5
SCHEMBL7807539 0.76 ALOX5 (0.78) ALOX5
SCHEMBL333086 0.73 ALOX5 (0.61) ALOX5
SCHEMBL332120 0.71 ALOX5 (0.61) ALOX5GSK3BDYRK1A
SCHEMBL3660149 0.70 ALOX5 (0.40) ALOX5
Pf-4191834 SCHEMBL332973 0.70 ALOX5 (0.81) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US 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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 ALOX5 1/4885MKNK1 3014/4885MKNK2 2549/4885

“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.