SCHEMBL4897585

SCHEMBL4897585

O=C1CCCc2cc(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.58
PKM P14618 6/20 0.46
IDO1 P14902 1/20 0.46
GSK3B P49841 1/20 0.45
MAPT P10636 1/20 0.43
PKLR P30613 1/20 0.42
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
TBXAS1 P24557 1/20 0.42
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4596680 0.92 KIF11 (0.68) KIF11PKMMAPTPKLRPDE3B
SCHEMBL4888035 0.81 KIF11 (0.86) KIF11PKMGSK3BMAPTPKLR
SCHEMBL4888861 0.79 KIF11 (0.86) KIF11PKMGSK3BPKLRPDE3B
SCHEMBL4595229 0.78 KIF11 (0.49) KIF11PKMPKLRGAA
SCHEMBL13657421 0.76 GAA (0.56) KIF11PKMIDO1MAPTGAA
SCHEMBL4896686 0.75 CYP11B1 (0.51) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL4596463 0.75 KIF11 (0.59) KIF11GSK3BMAPTPDE3BPDE3A
SCHEMBL4596866 0.75 KIF11 (0.40) KIF11PDE3BPDE3ACYP1A2CYP11B1
SCHEMBL4899973 0.74 KIF11 (0.61) KIF11PKMMAPTPDE3BPDE3A
SCHEMBL24247512 0.74 CA12 (0.63) PKMIDO1MAPTPKLRLMNA

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 3 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

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 562/4885PKM 492/4885IDO1 4640/4885

“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.