SCHEMBL4596866

SCHEMBL4596866

O=C1Nc2ccc(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)cc2CC1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CTSS P25774 1/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PGR P06401 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRIA1 P42261 1/20 0.32
TSHR P16473 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
TDP2 O95551 1/20 0.32
GCK P35557 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL4596144 0.82 KIF11 (0.60) KIF11PDE3BPDE3ACHRNB2CHRNA4
SCHEMBL4596892 0.78 KIF11 (0.42) KIF11PDE3BPDE3APGRALOX5AP
SCHEMBL4596680 0.77 KIF11 (0.68) KIF11PDE3BPDE3AHTTSMN1; SMN2
SCHEMBL4596404 0.77 KIF11 (0.44) KIF11CYP11B1CYP11B2
SCHEMBL4897585 0.75 KIF11 (0.58) KIF11PDE3BPDE3ALMNAGAA
SCHEMBL4596884 0.71 KIF11 (0.59) KIF11PDE3BPDE3ACHRNB2CHRNA4
SCHEMBL4596504 0.69 KIF11 (0.61) KIF11PDE3BPDE3AHTTSMN1; SMN2
SCHEMBL13657421 0.69 GAA (0.56) KIF11SMN1; SMN2SMYD3GAA
SCHEMBL4596331 0.68 BRD4 (0.47) LMNATDP2
SCHEMBL4896686 0.68 CYP11B1 (0.51) KIF11PDE3BPDE3ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885PDE3B 2947/4885PDE3A 2911/4885

“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.