SCHEMBL861396

SCHEMBL861396

CCOC(=O)CN1CCC(Oc2ccc(C(C)NC(=O)CC(=O)Nc3ccc(C(=N)N)cc3)cc2-c2ccc(F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
F2 P00734 10/20 0.39
BCL9 O00512 2/20 0.39
CTNNB1 P35222 2/20 0.39
F7 P08709 11/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
F3 P13726 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL860456 0.93 F7 (0.41) F10ITGB3ITGA2BF2F7
SCHEMBL860524 0.92 F7 (0.40) F10ITGB3ITGA2BF2BCL9
SCHEMBL8102477 0.87 ITGB3 (0.42) F10ITGB3ITGA2BF2F7
SCHEMBL860491 0.87 F7 (0.46) F10ITGB3ITGA2BF2F7
SCHEMBL860983 0.86 F7 (0.39) F10ITGB3ITGA2BF2F7
SCHEMBL860992 0.85 F7 (0.43) F10F2F7
SCHEMBL861163 0.79 F7 (0.48) F10F2F7
SCHEMBL8102918 0.79 F7 (0.43) F10F2F7
SCHEMBL860995 0.78 F7 (0.52) F10F2F7
SCHEMBL860738 0.78 F7 (0.41) F10ITGB3ITGA2BF2F7

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 F10 12/4885ITGB3 3287/4885ITGA2B 1017/4885

“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.