SCHEMBL840281

SCHEMBL840281

CC(N)c1ccc(S(=O)(=O)N2CCOCC2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ACHE P22303 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR1 P21554 2/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
CNR2 P34972 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL841732 0.81 CNR2 (0.54) ALDH1A1SMN1; SMN2HTTKDM4EACHE
SCHEMBL841667 0.79 LMNA (0.52) ALDH1A1SMN1; SMN2TSHRHTTLMNA
SCHEMBL27776670 0.77 LMNA (0.37) ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL841239 0.76 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2TSHRHTTLMNA
SCHEMBL841797 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAKDM4ECNR1
SCHEMBL841693 0.75 CNR2 (0.55) ALDH1A1SMN1; SMN2TSHRLMNANPSR1
SCHEMBL20627051 0.72 POLB (0.53) ALDH1A1SMN1; SMN2TSHRLMNACNR1
SCHEMBL16440618 0.72 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRHTTACHE
SCHEMBL23903278 0.71 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRACHENPSR1
SCHEMBL841589 0.71 ERN1 (0.48) ALDH1A1SMN1; SMN2HTTKDM4ECNR1

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 ALDH1A1 293/4885SMN1; SMN2 1926/4885TSHR 3157/4885

“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.