SCHEMBL335731

SCHEMBL335731

CCN(CC)c1ccc(C(=O)NC(c2cccc(C)c2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 7/20 0.47
F7 P08709 3/20 0.42
F3 P13726 2/20 0.42
ROCK2 O75116 1/20 0.41
MAPT P10636 2/20 0.40
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
F10 P00742 1/20 0.39
F11 P03951 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
EIF2S1 P05198 1/20 0.38

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
SCHEMBL335293 0.92 F9 (0.48) F9F7F3MAPTAURKA
SCHEMBL336042 0.92 F9 (0.48) F9F7F3MAPTAURKA
SCHEMBL336900 0.92 F9 (0.47) F9F7F3MAPTAURKA
SCHEMBL336541 0.90 ALDH1A1 (0.47) F9F7F3MAPTF10
SCHEMBL335988 0.88 F9 (0.44) F9F7F3MAPTF10
SCHEMBL335863 0.88 F9 (0.51) F9F7F3ROCK2PSEN1
SCHEMBL335372 0.87 F9 (0.43) F9F7F3MAPTF10
SCHEMBL335167 0.86 F9 (0.44) F9F7F3MAPTF10
SCHEMBL336152 0.86 F9 (0.46) F9F7F3ROCK2MAPT
SCHEMBL334986 0.85 MAPT (0.44) F9F7F3MAPTAURKA

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 5 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
CN-101516834-A Isoserine derivatives for use as coagulation factor ixa inhibitors SANOFI AVENTIS (FR) 2009-08-26 CN claimed
CN-1359423-A Herbicide resistant plants HINZENTA CO LTD (GB) 2002-07-17 CN 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 F9 3/4885F7 6/4885F3 18/4885

“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.