SCHEMBL840686

SCHEMBL840686

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
CNR2 P34972 7/20 0.55
GSTO1 P78417 1/20 0.54
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 3/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CNR1 P21554 4/20 0.49
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL841693 0.81 CNR2 (0.55) KMT2ACNR2ALDH1A1POLBTP53
SCHEMBL840799 0.79 CNR2 (0.57) KMT2ACNR2GSTO1ALDH1A1POLB
SCHEMBL4741863 0.79 GSTO1 (0.60) KMT2ACNR2GSTO1ALDH1A1TP53
SCHEMBL14100591 0.78 GSTO1 (0.62) KMT2ACNR2GSTO1ALDH1A1TP53
SCHEMBL841732 0.77 CNR2 (0.54) KMT2ACNR2GSTO1ALDH1A1MEN1
SCHEMBL250807 0.76 SMN1; SMN2 (0.59) ALDH1A1TP53MAPTLMNASMN1; SMN2
SCHEMBL1773552 0.76 CNR2 (0.53) KMT2ACNR2GSTO1ALDH1A1MEN1
SCHEMBL30150274 0.76 KMT2A (0.79) KMT2ACNR2GSTO1ALDH1A1POLB
SCHEMBL334552 0.74 ALDH1A1 (0.73) KMT2AALDH1A1POLBTSHRMAPT
SCHEMBL12412597 0.73 PDE3B (0.50) CNR2ALDH1A1MAPK1HSD17B10CNR1

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 10 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
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 KMT2A 1346/4885CNR2 1357/4885GSTO1 3547/4885

“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.