SCHEMBL841732

SCHEMBL841732

CC(N)c1ccc(S(=O)(=O)N2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.54
CNR1 P21554 3/20 0.47
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GSTO1 P78417 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
ACHE P22303 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 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
SCHEMBL840281 0.81 ALDH1A1 (0.49) CNR2CNR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL16440618 0.80 ALDH1A1 (0.59) CNR2CNR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL27776830 0.79 CNR2 (0.36) CNR2CNR1ALDH1A1SMN1; SMN2GSTO1
SCHEMBL840799 0.78 CNR2 (0.57) CNR2CNR1ALDH1A1SMN1; SMN2GSTO1
SCHEMBL840686 0.77 KMT2A (0.57) CNR2CNR1ALDH1A1SMN1; SMN2GSTO1
SCHEMBL1773552 0.75 CNR2 (0.53) CNR2CNR1ALDH1A1SMN1; SMN2GSTO1
SCHEMBL30150274 0.74 KMT2A (0.79) CNR2ALDH1A1GSTO1KMT2AMEN1
SCHEMBL841239 0.73 SMN1; SMN2 (0.42) CNR1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL841797 0.72 ALDH1A1 (0.43) CNR2CNR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3039736 0.71 CNR2 (1.00) CNR2CNR1ALDH1A1GSTO1KMT2A

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 11 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
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
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 CNR2 1357/4885CNR1 1412/4885ALDH1A1 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.