SCHEMBL335376

SCHEMBL335376

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.45
ACP1 P24666 1/20 0.43
TYMS P04818 8/20 0.41
ABL1 P00519 1/20 0.40
FABP6 P51161 1/20 0.40
F9 P00740 1/20 0.38
F7 P08709 1/20 0.38
KCNK2 O95069 1/20 0.37
KCNK10 P57789 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37

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
SCHEMBL336448 0.89 TYMS (0.45) ACP1TYMSABL1FABP6F9
SCHEMBL336367 0.88 MAPT (0.47) ACP1TYMSABL1FABP6F9
SCHEMBL335948 0.87 ABL1 (0.45) ACP1ABL1FABP6F9F7
SCHEMBL335916 0.87 MTOR (0.46) PDE2AACP1ABL1FABP6F9
SCHEMBL335373 0.87 TYMS (0.43) ACP1TYMSABL1FABP6F9
SCHEMBL8219489 0.86 F9 (0.43) ACP1TYMSABL1FABP6F9
SCHEMBL335878 0.85 ABL1 (0.43) ACP1TYMSABL1FABP6F9
SCHEMBL336413 0.85 ACP1 (0.44) ACP1TYMSABL1FABP6F9
SCHEMBL335576 0.85 ABL1 (0.43) ACP1TYMSABL1FABP6F9
SCHEMBL336586 0.85 GRIN1 (0.44) ACP1ABL1FABP6F9F7

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 PDE2A 2265/4885ACP1 1423/4885TYMS 1838/4885

“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.