SCHEMBL841875

SCHEMBL841875

CC(N)c1ccc(S(=O)(=O)C2CCOCC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
CNR1 P21554 2/20 0.39
CA12 O43570 8/20 0.36
CA1 P00915 8/20 0.36
CA2 P00918 8/20 0.36
CA6 P23280 8/20 0.36
CA5A P35218 8/20 0.36
CA7 P43166 8/20 0.36
CA9 Q16790 8/20 0.36
CA13 Q8N1Q1 8/20 0.36
CA14 Q9ULX7 8/20 0.36
CA5B Q9Y2D0 8/20 0.36
CA4 P22748 7/20 0.36
CA3 P07451 7/20 0.34
KAT6A Q92794 4/20 0.33
KAT5 Q92993 4/20 0.33
ADRB2 P07550 1/20 0.33
CXCR2 P25025 1/20 0.33
AOC2 O75106 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL14015235 0.75 GCK (0.43)
SCHEMBL841820 0.75 TP53 (0.42) KAT6AKAT5CXCR2
SCHEMBL2655654 0.73 GCK (0.43)
SCHEMBL2668248 0.73 GCK (0.43)
SCHEMBL2413125 0.67 HSD11B1 (0.40) TRPV4CA12CA1CA2CA6
Water SCHEMBL28038773 0.66 COMT (0.35) TRPV4CNR1CA12CA1CA2
SCHEMBL841872 0.66 TRPV4 (0.42) TRPV4CNR1CA1CA2CA9
SCHEMBL840281 0.66 ALDH1A1 (0.49) CNR1
SCHEMBL24168894 0.65 CA1 (0.43) CA12CA1CA2CA6CA5A
SCHEMBL30291940 0.65 CA1 (0.43) CA12CA1CA2CA6CA5A

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 TRPV4 4069/4885CNR1 1412/4885CA12 2207/4885

“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.