SCHEMBL840797

SCHEMBL840797

CC(NC(=O)CC(=O)Nc1ccc(C#N)cc1)c1ccc(Oc2cccc(CO)c2)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
F7 P08709 3/20 0.37
F2 P00734 2/20 0.37
GAA P10253 1/20 0.37
TBXA2R P21731 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
IL18 Q14116 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
SCHEMBL860262 0.86 F7 (0.41) MAPTF7F2GAAPOLB
SCHEMBL860435 0.85 F7 (0.51) F7F2
SCHEMBL840788 0.85 F7 (0.42) F7F2
Trifluoroacetic Acid SCHEMBL841565 0.81 F7 (0.48) F7F2
SCHEMBL840752 0.81 FFAR1 (0.39) FFAR1MAPTALDH1A1MEN1KMT2A
SCHEMBL840751 0.80 FFAR1 (0.40) FFAR1MAPTALDH1A1MEN1KMT2A
SCHEMBL14647018 0.80 F7 (0.39) FFAR1F7F2RAB9A
SCHEMBL860820 0.71 F7 (0.49) F7F2
SCHEMBL860642 0.69 F7 (0.38) MAPTF7F2GAA
SCHEMBL860307 0.69 F7 (0.47) F7F2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
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-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
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 FFAR1 2630/4885MAPT 4829/4885ALDH1A1 293/4885

“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.