SCHEMBL335336

SCHEMBL335336

CC(C)c1ccc(C(=O)NC(c2ccccc2Cl)C(O)C(=O)Nc2ccc3c(N)nccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F9 P00740 6/20 0.47
F7 P08709 8/20 0.41
F3 P13726 8/20 0.41
ROCK2 O75116 1/20 0.40
F10 P00742 5/20 0.40
F2 P00734 4/20 0.40
F11 P03951 2/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
GRM4 Q14833 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL336692 0.90 F9 (0.45) F9F7F3ROCK2F10
SCHEMBL335786 0.90 F9 (0.51) F9F7F3ROCK2F10
SCHEMBL336190 0.89 F9 (0.50) F9F7F3F10F2
SCHEMBL335885 0.88 F9 (0.43) F9F7F3ROCK2F10
SCHEMBL335384 0.85 F9 (0.47) F9F7F3F10F2
SCHEMBL335863 0.85 F9 (0.51) F9F7F3ROCK2F10
SCHEMBL335882 0.84 F9 (0.50) F9F7F3F10F2
SCHEMBL335836 0.84 F9 (0.49) F9F7F3ROCK2F10
SCHEMBL335870 0.83 F9 (0.47) F9F7F3F10F2
SCHEMBL335437 0.82 F10 (0.46) F9F7F3ROCK2F10

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 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.