SCHEMBL336413

SCHEMBL336413

Nc1nc2ccc(NC(=O)C(O)C(NC(=O)c3ccc(OCC(F)(F)F)cc3)c3ccccc3)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.44
KDR P35968 2/20 0.42
TEK Q02763 2/20 0.42
MCHR1 Q99705 1/20 0.41
F7 P08709 3/20 0.40
F9 P00740 2/20 0.40
DHFR P00374 2/20 0.39
FPGS Q05932 1/20 0.39
ABL1 P00519 1/20 0.39
FABP6 P51161 1/20 0.39
PRCP P42785 2/20 0.38
F11 P03951 1/20 0.38
OPRL1 P41146 1/20 0.37
TYMS P04818 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.36
F3 P13726 1/20 0.36

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
SCHEMBL335396 0.90 F7 (0.44) F7F9DHFRTP53MAPT
SCHEMBL335916 0.90 MTOR (0.46) ACP1KDRTEKMCHR1F7
SCHEMBL336586 0.88 GRIN1 (0.44) ACP1KDRTEKF7F9
SCHEMBL334843 0.87 KDR (0.45) KDRF7F9ABL1FABP6
SCHEMBL336367 0.86 MAPT (0.47) ACP1F7F9DHFRABL1
SCHEMBL335420 0.85 NPC1 (0.46) MCHR1F7F9ABL1FABP6
SCHEMBL335948 0.85 ABL1 (0.45) ACP1MCHR1F7F9ABL1
SCHEMBL335376 0.85 PDE2A (0.45) ACP1KDRTEKF7F9
SCHEMBL335576 0.84 ABL1 (0.43) ACP1F7F9DHFRABL1
SCHEMBL8219489 0.84 F9 (0.43) ACP1F7F9ABL1FABP6

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-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
EP-2069289-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS Sanofi-Aventis (FR) 2009-06-17 EP claimed
WO-2008031509-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI-AVENTIS (FR) 2008-03-20 WO claimed
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 ACP1 1423/4885KDR 4305/4885TEK 4357/4885

“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.