SCHEMBL860715

SCHEMBL860715

CC(NC(=O)CC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(S(=O)(=O)N2CCOCC2)c(-c2nccs2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 0.47
F2 P00734 5/20 0.47
UBE2N P61088 1/20 0.44
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
F3 P13726 1/20 0.43
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL840741 0.95 F7 (0.46) F7F2UBE2NF10PLG
SCHEMBL860708 0.86 F7 (0.50) F7F2F10ALDH1A1SMN1; SMN2
SCHEMBL861307 0.85 NAMPT (0.50) F7F2UBE2NF10F3
SCHEMBL860728 0.85 F7 (0.48) F7F2UBE2NF10LMNA
SCHEMBL861055 0.85 F7 (0.53) F7F2F10ALDH1A1KMT2A
SCHEMBL860543 0.85 F7 (0.53) F7F2F10ALDH1A1KMT2A
SCHEMBL860417 0.84 F7 (0.47) F7F2UBE2NLMNAALDH1A1
SCHEMBL861310 0.84 F7 (0.47) F7F2UBE2NLMNAALDH1A1
SCHEMBL861106 0.84 F7 (0.60) F7F2F10LMNAALDH1A1
SCHEMBL861298 0.84 F7 (0.60) F7F2F10LMNAALDH1A1

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 6 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
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI F7 1/4885F2 23/4885UBE2N 2909/4885

“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.