SCHEMBL336065

SCHEMBL336065

CC(C)c1ccc(C(=O)NC(c2ccccc2OC(F)(F)F)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
F7 P08709 3/20 0.38
F3 P13726 1/20 0.38
CHEK2 O96017 1/20 0.38
F9 P00740 2/20 0.37
ACP1 P24666 1/20 0.37
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
DGAT1 O75907 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ABL1 P00519 2/20 0.35
FABP6 P51161 1/20 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
SCHEMBL335886 0.88 F7 (0.37) F7F3CHEK2F9KDR
SCHEMBL335616 0.88 NR2E3 (0.38) F7F3F9ACP1KDR
SCHEMBL335924 0.87 CHEK2 (0.40) KCNK3KCNK9CHEK2MAPTSMN1; SMN2
SCHEMBL335215 0.87 NR2E3 (0.44) F7F3CHEK2F9DGAT1
SCHEMBL335878 0.85 ABL1 (0.43) F7F3F9ACP1NR2E3
SCHEMBL336353 0.85 MAPT (0.43) F7F3F9NR2E3MAPT
SCHEMBL335326 0.84 PDE2A (0.44) PDE2AF7F9ACP1KDR
SCHEMBL335916 0.83 MTOR (0.46) PDE2AF7CHEK2F9ACP1
SCHEMBL335904 0.82 MAPT (0.40) F7F9KDRTEKNR2E3
SCHEMBL335874 0.80 MAPT (0.39) F7F9DGAT1NR2E3MAPT

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 2265/4885KCNK3 2878/4885KCNK9 1361/4885

“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.