SCHEMBL842078

SCHEMBL842078

CC(=O)c1ccc(SC2CCOCC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.38
CCR2 P41597 5/20 0.36
CCR5 P51681 1/20 0.36
TP53 P04637 1/20 0.35
RHEB Q15382 1/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
ATM Q13315 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
CYP1A1 P04798 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
SCHEMBL4066853 0.76 HPGD (0.48) KDM4EHPGDRHEBNPC1MAPT
SCHEMBL2654895 0.74 TSHR (0.37) HPGDTAS1R3TAS1R2
SCHEMBL6519931 0.73 HPGD (0.42) KDM4EHPGDPKMNPC1MAPT
SCHEMBL19618038 0.73 KMO (0.49) HPGDATMTAS1R3TAS1R2
SCHEMBL4131936 0.72 ALDH1A1 (0.42) HPGDPKMNPC1MAPTRAB9A
SCHEMBL1857913 0.71 CA2 (0.43) HPGDTAS1R3TAS1R2
SCHEMBL841820 0.71 TP53 (0.42) KDM4EHPGDPKMCCR2CCR5
SCHEMBL17996737 0.70 SLC6A4 (0.40) HPGDATMTAS1R3
SCHEMBL17996736 0.70 SLC6A4 (0.35) HPGDATMTAS1R3TAS1R2
SCHEMBL2655589 0.69 TSHR (0.41) KDM4EHPGDMAPTRAB9AATM

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 KDM4E 260/4885HPGD 1790/4885PKM 900/4885

“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.