SCHEMBL5528899

SCHEMBL5528899

COc1cc(NS(N)(=O)=O)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.68
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
MEN1 O00255 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
PLAU P00749 1/20 0.48

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
SCHEMBL3374264 0.88 KIF11 (0.62) KIF11PSEN1PSEN2APH1BNCSTN
SCHEMBL5527231 0.83 KIF11 (0.65) KIF11PSEN1PSEN2APH1BNCSTN
SCHEMBL4395991 0.83 KIF11 (0.73) KIF11CA1CA2
SCHEMBL5530409 0.81 KIF11 (1.00) KIF11CA1CA2AKR1C3AKR1C2
SCHEMBL5531292 0.80 KIF11 (0.73) KIF11CA1CA2
SCHEMBL3968042 0.79 KIF11 (1.00) KIF11CA1CA2PSEN1PSEN2
SCHEMBL3966430 0.78 KIF11 (0.70) KIF11CA1CA2
SCHEMBL5531754 0.77 KIF11 (1.00) KIF11CA1CA2
SCHEMBL5534289 0.77 KIF11 (0.68) KIF11CA1CA2
SCHEMBL1645153 0.75 CA1 (1.00) KIF11CA1CA2

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-20070142460-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-06-21 US claimed
US-20070142460-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-06-21 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-20070142460-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 KIF11 824/4885CA1 2205/4885CA2 2768/4885

“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.