SCHEMBL4596034

SCHEMBL4596034

O=S1(=O)NCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.52
TDP2 O95551 1/20 0.45
CA9 Q16790 3/20 0.39
CA12 O43570 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ASIC3 Q9UHC3 1/20 0.35
GALR1 P47211 1/20 0.35
CHKA P35790 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
NOTUM Q6P988 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
SCHEMBL4596154 0.86 KIF11 (0.41) KIF11TDP2CA9CA12CHRNB2
SCHEMBL4898485 0.77 KIF11 (0.59) KIF11TDP2CA9CA12CHRNB2
SCHEMBL6911317 0.74 CYP11B2 (0.42)
SCHEMBL4596437 0.72 KIF11 (0.65) KIF11TDP2CHRNB2CHRNA4
SCHEMBL6910702 0.72 CYP11B1 (0.60) TDP2
SCHEMBL4898372 0.71 KIF11 (0.72) KIF11TDP2CHRNB2CHRNA4ASIC3
SCHEMBL1903306 0.70 KIF11 (0.80) KIF11TDP2
SCHEMBL4596526 0.70 KIF11 (0.57) KIF11TDP2CHRNB2CHRNA4ASIC3
SCHEMBL1396616 0.69 KIF11 (1.00) KIF11TDP2
SCHEMBL4596871 0.69 KIF11 (0.59) KIF11TDP2CHRNB2CHRNA4

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 7 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
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 562/4885TDP2 1033/4885CA9 2775/4885

“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.