SCHEMBL4596680

SCHEMBL4596680

O=C1CCc2cc(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.68
CYP1A2 P05177 3/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
CYP2C9 P11712 1/20 0.50
TBXAS1 P24557 1/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
PKM P14618 10/20 0.49
PKLR P30613 1/20 0.49
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4897585 0.92 KIF11 (0.58) KIF11CYP1A2CYP11B1CYP11B2CYP2C9
SCHEMBL4899973 0.82 KIF11 (0.61) KIF11CYP1A2CYP11B1CYP11B2CYP2C9
SCHEMBL1396616 0.81 KIF11 (1.00) KIF11CYP1A2CYP11B1CYP11B2CYP2C9
SCHEMBL13657421 0.79 GAA (0.56) KIF11PKMMAPTSMN1; SMN2
SCHEMBL4890916 0.78 KIF11 (0.57) KIF11CYP1A2CYP11B1CYP11B2CYP2C9
SCHEMBL4608466 0.78 PKM (0.57) KIF11CYP1A2CYP11B1CYP11B2CYP2C9
SCHEMBL3312587 0.78 KIF11 (0.72) KIF11CYP1A2CYP11B1CYP11B2CYP2C9
SCHEMBL4896686 0.77 CYP11B1 (0.51) KIF11CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL4887902 0.77 KIF11 (0.67) KIF11CYP1A2CYP11B1CYP11B2CYP2C9
SCHEMBL4596866 0.77 KIF11 (0.40) KIF11CYP1A2CYP11B1CYP11B2PDE3B

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
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP claimed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO 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

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 562/4885CYP1A2 4367/4885CYP11B1 780/4885

“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.