SCHEMBL4428737

SCHEMBL4428737

CC(C)(C[C@@]1(C(F)(F)F)CO1)c1ccccc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.39
CYP3A4 P08684 5/20 0.36
NR3C1 P04150 4/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CD38 P28907 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK8 P45983 1/20 0.33

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
SCHEMBL4428734 1.00 PDK2 (0.39) PDK2CYP3A4NR3C1SIRT2CYP2C9
SCHEMBL1492614 1.00 PDK2 (0.39) PDK2CYP3A4NR3C1SIRT2CYP2C9
SCHEMBL1492621 0.88 TAS2R14 (0.39) PDK2
SCHEMBL1492625 0.88 TAS2R14 (0.39) PDK2
SCHEMBL1716823 0.88 TAS2R14 (0.39) PDK2
Formic Acid SCHEMBL1954948 0.85 TAS2R14 (0.37) PDK2
SCHEMBL1954947 0.82 PDK2 (0.32) PDK2
SCHEMBL1716402 0.77 NR3C1 (0.33) PDK2NR3C1
SCHEMBL1716857 0.76 ALDH1A1 (0.33)
SCHEMBL1716028 0.76 ALDH1A1 (0.33)

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-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 US disclosed
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 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-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R PDK2 3048/4885CYP3A4 360/4885NR3C1 1/4885

“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.