SCHEMBL22787352

SCHEMBL22787352

CC(F)(F)CS(=O)(=O)N1CCC(N)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
EPHX2 P34913 3/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL1517086 0.85 EPHX2 (0.43) LMNAEPHX2GAAMAPK1MAPT
SCHEMBL695370 0.78 KDM4E (0.44) LMNAGAAMAPK1MAPTL3MBTL1
SCHEMBL12256403 0.77 CA1 (0.39) LMNAEPHX2GAAMAPTL3MBTL1
Trifluoroacetic Acid SCHEMBL19857506 0.77 EPHX2 (0.43) LMNAEPHX2GAAMAPK1MAPT
Hydrochloric Acid SCHEMBL29903895 0.77 KDM4E (0.43) LMNAGAAMAPK1MAPTL3MBTL1
SCHEMBL22787386 0.76 PDK1 (0.33) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL2423436 0.75 ALOX5AP (0.32) LMNAGAAMAPK1MAPTL3MBTL1
SCHEMBL1516954 0.72 ALDH1A1 (0.50) LMNAGAAMAPTL3MBTL1ALDH1A1
SCHEMBL22860158 0.71 EPHX2 (0.41) LMNAEPHX2GAAMAPTJAK2
Trifluoroacetic Acid SCHEMBL6039700 0.71 ALDH1A1 (0.47) LMNAEPHX2GAAMAPTALDH1A1

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-11396512-B2 CDK2/4/6 inhibitors PFIZER INC. (US) 2022-07-26 US disclosed
US-20200392142-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2020-12-17 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 (2 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-20200392142-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 LMNA 2249/4885EPHX2 3656/4885GAA 3214/4885
US-11396512-B2 CDK2/4/6 inhibitors CDK2, CDK6, CDK20 LMNA 2211/4885EPHX2 3664/4885GAA 3247/4885

“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.