SCHEMBL4883977

SCHEMBL4883977

CC1(C)C(=O)N(c2ccc(S(=O)(=O)c3ccccc3)c(Cl)c2)C(=O)[N+]1(Cc1ccncc1)OC(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.37
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR3C2 P08235 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL4890256 0.89 NAMPT (0.40) NAMPT
SCHEMBL2940400 0.83 IGF1R (0.35) MEN1KMT2A
SCHEMBL4884585 0.80 IGF1R (0.36) NAMPTMEN1KMT2A
SCHEMBL2936439 0.79 IGF1R (0.32) MEN1KMT2A
SCHEMBL3730717 0.77 MEN1 (0.32) MEN1KMT2A
SCHEMBL4884670 0.77 IGF1R (0.34) MEN1KMT2A
SCHEMBL3727464 0.77 IGF1R (0.41)
SCHEMBL4888699 0.77 MAPT (0.34)
SCHEMBL5487628 0.76
Trifluoroacetic Acid SCHEMBL4883973 0.76 IGF1R (0.52)

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-20080021029-A1 Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-01-24 US disclosed
EP-1621535-A1 Substituted cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors Aventis Pharma S.A. (FR) 2006-02-01 EP 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-20080021029-A1 Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors PRKAR2B, PRKG2, PRKG1 NAMPT 2443/4885ABCC9 1293/4885ABCC8 1263/4885

“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.