SCHEMBL4596418

SCHEMBL4596418

O=C1Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2CC1C(O)=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.55
TDP2 O95551 2/20 0.45
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
KMT2A Q03164 2/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
AKT1 P31749 3/20 0.36
CDK2 P24941 2/20 0.36
CDK1 P06493 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
MEN1 O00255 1/20 0.36
P2RY14 Q15391 2/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
KCNH2 Q12809 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GLO1 Q04760 1/20 0.34

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
SCHEMBL4594888 0.89 KIF11 (0.56) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL4887887 0.85 KIF11 (0.55) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL4596412 0.85 KIF11 (0.55) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL4596144 0.82 KIF11 (0.60) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL4596470 0.80 KIF11 (0.49) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL4891219 0.79 KIF11 (0.56) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL3308412 0.79 KIF11 (0.53) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL3468263 0.79 KIF11 (0.53) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL3467592 0.75 KIF11 (0.52) KIF11TDP2CHRNB2CHRNA4KMT2A
SCHEMBL3467771 0.74 KIF11 (0.48) KIF11TDP2CHRNB2CHRNA4KMT2A

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 4 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
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 1033/4885CHRNB2 3921/4885

“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.