SCHEMBL861204

SCHEMBL861204

CC(NC(=O)CC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(S(=O)(=O)N2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 14/20 0.53
F2 P00734 9/20 0.53
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
F10 P00742 1/20 0.43
BRD4 O60885 1/20 0.42
ATAD2 Q6PL18 1/20 0.42
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSTO1 P78417 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
SCHEMBL860930 0.99 F7 (0.54) F7F2MAPTTP53F10
SCHEMBL860971 0.99 F7 (0.54) F7F2MAPTTP53F10
SCHEMBL861281 0.92 F7 (0.58) F7F2MAPTTP53F10
SCHEMBL860541 0.92 F7 (0.61) F7F2MAPTTP53F10
SCHEMBL860318 0.92 F7 (0.61) F7F2MAPTTP53F10
SCHEMBL861060 0.92 F7 (0.52) F7F2F10ALDH1A1GAA
SCHEMBL860994 0.91 F7 (0.51) F7F2F10BRD4ATAD2
SCHEMBL860345 0.91 F7 (0.51) F7F2F10BRD4ATAD2
Trifluoroacetic Acid SCHEMBL841933 0.89 F7 (0.58) F7F2TP53F10CNR2
SCHEMBL860418 0.87 F7 (0.52) 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 23/4885MAPT 4829/4885

“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.