SCHEMBL28296145

SCHEMBL28296145

O=S(=O)(CC(F)(F)F)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 5/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 3/20 0.41
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.35
MEN1 O00255 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL12256403 0.83 CA1 (0.39) CA1CA2POLBTSHRHPGD
SCHEMBL2246611 0.78 KDM4E (0.42) KMT2AEPHX2ALDH1A1KDM4EMAPT
SCHEMBL8713877 0.78 CA12 (0.48) POLBTSHREPHX2ALDH1A1KDM4E
SCHEMBL3308588 0.77 EPHX2 (0.38) KMT2AEPHX2MEN1
Hydrochloric Acid SCHEMBL2593006 0.77 KDM4E (0.41) KMT2AEPHX2ALDH1A1KDM4EMAPT
SCHEMBL16099302 0.76 TSHR (0.36) CA1CA2POLBTSHRHPGD
SCHEMBL14388360 0.75 KMT2A (0.43) POLBKMT2AEPHX2ALDH1A1KDM4E
SCHEMBL1517086 0.75 EPHX2 (0.43) EPHX2MAPTL3MBTL1
SCHEMBL22550134 0.75 LMNA (0.41) POLBTSHREPHX2KDM4EL3MBTL1
SCHEMBL8263009 0.75 KDM4E (0.46) POLBTSHRKMT2AEPHX2ALDH1A1

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-20220324872-A1 CDK2/4/6 Inhibitors PFIZER INC. (US) 2022-10-13 US disclosed
CN-109803968-A Pyridopyrimidinone CDK2/4/6 inhibitor 辉瑞公司 2019-05-24 CN 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-20220324872-A1 CDK2/4/6 Inhibitors CDK2, CDK6, CDK20 CA1 3756/4885CA2 2490/4885POLB 300/4885

“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.