SCHEMBL6645099

SCHEMBL6645099

CN(C)c1cc(C(C)(C)C)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP2C19 P33261 1/20 0.35
HSD11B1 P28845 1/20 0.35
HSD17B3 P37058 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
ERAP1 Q9NZ08 2/20 0.33
KMT2A Q03164 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
SCHEMBL1772862 0.81 CA1 (0.50) CA1CA2CA9ATMKDM4E
SCHEMBL29365046 0.81 CA1 (0.50) CA1CA2CA9ATMKDM4E
SCHEMBL2454881 0.80 CA1 (0.49) CA1CA2CA9ATMCYP2C19
SCHEMBL495940 0.80 CA1 (0.49) CA1CA2CA9ATMCYP2C19
SCHEMBL4066885 0.79 CYP2C19 (0.52) CA1CA2CA9ATMKDM4E
SCHEMBL29909456 0.79 CYP2C19 (0.52) CA1CA2CA9ATMKDM4E
SCHEMBL6645216 0.77 ALDH1A1 (0.40) KDM4EHSD11B1ALDH1A1KMT2AHTT
SCHEMBL4517030 0.77 CA1 (0.49) CA1CA2CA9ATMKDM4E
SCHEMBL22751141 0.77 CA1 (0.49) CA1CA2CA9ATMCYP2C19
SCHEMBL2990470 0.77 CA1 (0.49) CA1CA2CA9ATMCYP2C19

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-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR CA1 3588/4885CA2 2972/4885CA9 4022/4885

“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.