SCHEMBL841583

SCHEMBL841583

O=S(=O)(Oc1cccc(C(F)(F)C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 2/20 0.40
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
DRD5 P21918 2/20 0.39
DRD3 P35462 2/20 0.39
STS P08842 2/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
ESR2 Q92731 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
CETP P11597 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL6938268 0.86 NR3C1 (0.48) CA1CA2CA9NR3C1PGR
SCHEMBL3672358 0.84 PGR (0.45) CA1CA2CA9DRD2DRD1
SCHEMBL3679809 0.83 CA1 (0.38) CA1CA2CA9DRD2DRD1
SCHEMBL5178160 0.83 CA1 (0.56) CA1CA2CA9DRD2DRD1
SCHEMBL2349455 0.83 ACHE (0.44) CA1CA2CA9DRD2DRD1
SCHEMBL3668197 0.82 PGR (0.43) CA1CA2CA9DRD2DRD1
SCHEMBL3672835 0.82 PGR (0.43) CA1CA2CA9DRD2DRD1
SCHEMBL6058998 0.81 PGR (0.42) CA1CA2CA9DRD2DRD1
SCHEMBL13416088 0.78 CA1 (0.45) CA1CA2CA9DRD2DRD1
SCHEMBL5177944 0.78 CA1 (0.50) CA1CA2CA9DRD2DRD1

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 CA1 1690/4885CA2 1258/4885CA9 310/4885

“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.