SCHEMBL861018

SCHEMBL861018

COCCN(C)S(=O)(=O)c1ccc([C@H](C)NC(=O)CC(=O)Nc2ccc(C(=N)N)cc2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F7 P08709 18/20 0.46
F2 P00734 12/20 0.46
GSTO1 P78417 1/20 0.42
F10 P00742 3/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL860615 1.00 F7 (0.46) F7F2GSTO1F10CNR1
SCHEMBL860440 0.86 F7 (0.49) F7F2F10
SCHEMBL860763 0.86 F7 (0.49) F7F2F10
SCHEMBL860608 0.86 F7 (0.47) F7F2GSTO1F10CNR2
SCHEMBL860363 0.86 F7 (0.47) F7F2GSTO1F10CNR2
Acetic Acid SCHEMBL841156 0.84 F7 (0.47) F7F2F10
SCHEMBL860396 0.84 F7 (0.47) F7F2F10
Trifluoroacetic Acid SCHEMBL840659 0.83 F7 (0.47) F7F2F10
SCHEMBL842037 0.81 F7 (0.50) F7F2F10
SCHEMBL841073 0.81 F7 (0.50) F7F2F10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 F7 1/4885F2 23/4885GSTO1 3547/4885

“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.