SCHEMBL335866

SCHEMBL335866

CC(C)c1ccc(C(=O)NC(c2cccc(C(F)(F)F)c2)C(O)C(=O)Nc2ccc3[nH]c(N)nc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.39
ROCK2 O75116 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
PTGS1 P23219 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
CSF1R P07333 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 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
SCHEMBL335283 0.89 MAPT (0.37) PDE2AROCK2KDRTEKPTGS1
SCHEMBL335326 0.86 PDE2A (0.44) PDE2AKDRTEKABL1BCR
SCHEMBL335874 0.82 MAPT (0.39) ABL1MAPTMEN1POLBKMT2A
SCHEMBL335878 0.82 ABL1 (0.43) ABL1MAPTPOLBSMN1; SMN2LMNA
SCHEMBL336353 0.81 MAPT (0.43) ABL1MAPTPOLBSMN1; SMN2LMNA
SCHEMBL335924 0.81 CHEK2 (0.40) ROCK2MAPTMEN1ALDH1A1POLB
SCHEMBL335904 0.79 MAPT (0.40) KDRTEKMAPTPOLBSMN1; SMN2
SCHEMBL335950 0.79 F7 (0.41) ROCK2MAPTMEN1ALDH1A1POLB
SCHEMBL336065 0.78 PDE2A (0.40) PDE2AKDRTEKABL1MAPT
SCHEMBL335616 0.77 NR2E3 (0.38) KDRTEKABL1MAPTALDH1A1

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 2265/4885ROCK2 3604/4885KDR 4305/4885

“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.