SCHEMBL335249

SCHEMBL335249

Nc1nc2ccc(NC(=O)[C@H](O)[C@H](c3ccccc3)N(CC3c4ccccc4-c4ccccc43)C(=O)O)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.39
ABL1 P00519 1/20 0.37
FABP6 P51161 1/20 0.37
SIRT4 Q9Y6E7 1/20 0.35
F7 P08709 3/20 0.35
F3 P13726 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
F9 P00740 2/20 0.33
F10 P00742 1/20 0.33
F11 P03951 1/20 0.33
HSD11B1 P28845 1/20 0.33
ROCK2 O75116 3/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
ROCK1 Q13464 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.32

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 0.85 ACP1 (0.42) ACP1ABL1FABP6SIRT4F7
SCHEMBL336087 0.81 NR2E3 (0.41) ACP1ABL1FABP6SIRT4F7
SCHEMBL4123591 0.76 ACP1 (0.48) ACP1ABL1FABP6SIRT4F7
SCHEMBL335832 0.76 ACP1 (0.48) ACP1ABL1FABP6SIRT4F7
SCHEMBL4109421 0.76 ACP1 (0.48) ACP1ABL1FABP6SIRT4F7
SCHEMBL4100714 0.76 ABL1 (0.52) ACP1ABL1FABP6SIRT4MEN1
SCHEMBL15282285 0.73 ACP1 (0.46) ACP1ABL1FABP6SIRT4F7
SCHEMBL15282212 0.73 ACP1 (0.46) ACP1ABL1FABP6SIRT4F7
SCHEMBL3999048 0.72 NR2E3 (0.41) ACP1ABL1FABP6F7F3
SCHEMBL4003561 0.72 NR2E3 (0.40) ACP1ABL1FABP6F7F3

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 ACP1 1423/4885ABL1 2660/4885FABP6 3044/4885

“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.