SCHEMBL4596526

SCHEMBL4596526

FC(F)(F)c1ccc(-c2ccc3c(c2)CNC(=S)N3)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.57
TDP2 O95551 1/20 0.46
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
GFER P55789 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP1A2 P05177 1/20 0.38
ASIC3 Q9UHC3 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
CHRM1 P11229 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRF1 P14222 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
PGR P06401 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
SCHEMBL4596437 0.82 KIF11 (0.65) KIF11TDP2PDE3BPDE3ACHRNB2
SCHEMBL4890704 0.79 KIF11 (0.41) KIF11TDP2CHRNB2CHRNA4GFER
SCHEMBL4596888 0.79 KIF11 (0.68) KIF11TDP2PDE3BPDE3ACHRNB2
SCHEMBL4596868 0.78 KIF11 (0.65) KIF11TDP2PDE3BPDE3ACYP11B1
SCHEMBL4595017 0.76 CYP11B1 (0.41) KIF11TDP2CYP11B1CYP11B2
SCHEMBL4898372 0.75 KIF11 (0.72) KIF11TDP2PDE3BPDE3ACHRNB2
SCHEMBL1903306 0.74 KIF11 (0.80) KIF11TDP2PDE3BPDE3ACYP11B1
SCHEMBL1396616 0.73 KIF11 (1.00) KIF11TDP2PDE3BPDE3ACYP11B1
SCHEMBL25366509 0.73 HTR5A (0.45) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL30528636 0.73 HTR5A (0.45) PDE3BPDE3ACYP11B1CYP11B2CYP1A2

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
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 1033/4885PDE3B 2947/4885

“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.