SCHEMBL336087

SCHEMBL336087

Nc1nc2ccc(NC(=O)C(O)C(c3ccccc3)N(Cc3ccccc3Cl)C(=O)O)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR2E3 Q9Y5X4 7/20 0.41
ACP1 P24666 1/20 0.39
SIRT4 Q9Y6E7 1/20 0.37
ABL1 P00519 1/20 0.37
FABP6 P51161 1/20 0.37
CLK2 P49760 1/20 0.36
PRKX P51817 1/20 0.36
CAMK2D Q13557 1/20 0.36
PKN2 Q16513 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
STK17A Q9UEE5 1/20 0.36
DGAT1 O75907 1/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
ALDH1A1 P00352 2/20 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
SCHEMBL335393 0.89 ACP1 (0.42) NR2E3ACP1SIRT4ABL1FABP6
SCHEMBL335249 0.81 ACP1 (0.39) NR2E3ACP1SIRT4ABL1FABP6
SCHEMBL15282254 0.78 DGAT1 (0.41) NR2E3ACP1SIRT4ABL1FABP6
SCHEMBL4123591 0.77 ACP1 (0.48) NR2E3ACP1SIRT4ABL1FABP6
SCHEMBL4109421 0.77 ACP1 (0.48) NR2E3ACP1SIRT4ABL1FABP6
SCHEMBL335832 0.77 ACP1 (0.48) NR2E3ACP1SIRT4ABL1FABP6
SCHEMBL4100714 0.76 ABL1 (0.52) NR2E3ACP1SIRT4ABL1FABP6
SCHEMBL15282285 0.74 ACP1 (0.46) NR2E3ACP1SIRT4ABL1FABP6
SCHEMBL15282212 0.74 ACP1 (0.46) NR2E3ACP1SIRT4ABL1FABP6
SCHEMBL4108132 0.73 HTR3E (0.54) NR2E3SIRT4ABL1FABP6DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP claimed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed

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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 NR2E3 4880/4885ACP1 1423/4885SIRT4 3087/4885

“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.