SCHEMBL861037

SCHEMBL861037

C[C@H](NC(=O)CC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(S(=O)(=O)c2cccnc2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F7 P08709 15/20 0.47
F2 P00734 9/20 0.47
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
F10 P00742 2/20 0.44
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
NAMPT P43490 2/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL860643 1.00 F7 (0.47) F7F2ITGB3ITGA2BF10
SCHEMBL861039 0.91 F7 (0.48) F7F2F10NAMPT
SCHEMBL860686 0.91 F7 (0.48) F7F2F10NAMPT
SCHEMBL860865 0.89 F7 (0.47) F7F2ITGB3ITGA2BF10
SCHEMBL860874 0.89 F7 (0.47) F7F2ITGB3ITGA2BF10
Trifluoroacetic Acid SCHEMBL841123 0.88 F7 (0.46) F7F2F10
SCHEMBL861041 0.86 F7 (0.47) F7F2F10
SCHEMBL860927 0.85 F7 (0.48) F7F2F10
SCHEMBL861040 0.84 F7 (0.44) F7F2ITGB3ITGA2BF10
SCHEMBL860480 0.80 F7 (0.48) F7F2F10

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-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI F7 1/4885F2 23/4885ITGB3 3287/4885

“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.