SCHEMBL860439

SCHEMBL860439

COCCOc1ccc(C(C)N)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 3/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
AAK1 Q2M2I8 4/20 0.37
CYP3A4 P08684 1/20 0.37
CASR P41180 1/20 0.37
S1PR4 O95977 1/20 0.36
FDPS P14324 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL841644 0.91 HTT (0.43) KDM4EHTTKMT2AS1PR1ALDH1A1
SCHEMBL12986570 0.88 CASR (0.43) ARKDM4EHTTKMT2AS1PR1
SCHEMBL2692879 0.82 XDH (0.38) S1PR1AAK1CYP3A4
SCHEMBL2793455 0.79 GAA (0.46) ARKDM4EHTTKMT2AS1PR1
SCHEMBL3641864 0.78 PDE2A (0.35) S1PR1ALDH1A1HSD17B10CYP3A4CASR
SCHEMBL12180490 0.77 ALDH1A1 (0.50) ARKDM4EHTTKMT2AS1PR1
SCHEMBL842139 0.76 S1PR1 (0.43) KMT2AS1PR1AAK1
SCHEMBL841828 0.76 AAK1 (0.46) ARS1PR1AAK1CYP3A4
SCHEMBL860193 0.75 C5AR1 (0.35) CASR
SCHEMBL20820439 0.74 PDE3B (0.45) ARHTTS1PR1ALDH1A1AAK1

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 6 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-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
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 AR 4728/4885KDM4E 260/4885HTT 4477/4885

“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.