SCHEMBL335836

SCHEMBL335836

CC(C)c1ccc(C(=O)NC(c2ccc(C(F)(F)F)cc2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.49
ROCK2 O75116 1/20 0.42
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
PDE2A O00408 2/20 0.40
F7 P08709 6/20 0.40
F10 P00742 1/20 0.40
F11 P03951 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
LRRK2 Q5S007 1/20 0.38
PTGS1 P23219 2/20 0.38
F3 P13726 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
SCHEMBL336190 0.94 F9 (0.50) F9F7F10F11PRSS1
SCHEMBL335786 0.90 F9 (0.51) F9ROCK2F7F10F11
SCHEMBL335384 0.90 F9 (0.47) F9F7F10F11PRSS1
SCHEMBL336152 0.89 F9 (0.46) F9ROCK2F7F10F11
SCHEMBL335988 0.86 F9 (0.44) F9F7F10F11PRSS1
SCHEMBL335863 0.85 F9 (0.51) F9ROCK2F7F10F11
SCHEMBL335882 0.85 F9 (0.50) F9F7F10F11PRSS1
SCHEMBL335322 0.84 F9 (0.64) F9F7F10F11PRSS1
SCHEMBL335336 0.84 F9 (0.47) F9ROCK2F7F10F11
SCHEMBL335437 0.83 F10 (0.46) F9ROCK2F7F10F3

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 8 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
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
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 3/4885ROCK2 3604/4885ABL1 2660/4885

“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.