SCHEMBL841797

SCHEMBL841797

CC(N)c1ccc(S(=O)(=O)N2CCOCC2)c(-c2nccs2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
UBE2N P61088 1/20 0.41
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL27797954 0.82 LMNA (0.32) ALDH1A1LMNAKMT2AKDM4EMAPK1
SCHEMBL860715 0.77 F7 (0.47) ALDH1A1SMN1; SMN2LMNAUBE2NMEN1
SCHEMBL841239 0.76 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2LMNACNR1ALOX5AP
SCHEMBL840281 0.75 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNACNR1CNR2
Trifluoroacetic Acid SCHEMBL840741 0.73 F7 (0.46) ALDH1A1SMN1; SMN2LMNAUBE2NMEN1
SCHEMBL841732 0.72 CNR2 (0.54) ALDH1A1SMN1; SMN2CNR1CNR2MEN1
SCHEMBL6596264 0.66 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL16440618 0.64 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CNR1CNR2KMT2A
SCHEMBL23903278 0.63 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CNR1KMT2AL3MBTL1
SCHEMBL5888543 0.61 PDPK1 (0.51)

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
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 ALDH1A1 293/4885SMN1; SMN2 1926/4885LMNA 546/4885

“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.