SCHEMBL336142

SCHEMBL336142

CN(C)c1cccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F9 P00740 7/20 0.49
F7 P08709 5/20 0.46
F3 P13726 3/20 0.46
F10 P00742 2/20 0.39
F11 P03951 2/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
GFER P55789 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
MAPT P10636 3/20 0.38
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
BRAF P15056 1/20 0.38
F2 P00734 1/20 0.38
SIRT1 Q96EB6 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
SCHEMBL335253 0.91 F9 (0.50) F9F7F3F10F11
SCHEMBL27559557 0.91 F9 (0.47) F9F7F3F10F11
SCHEMBL336483 0.89 F9 (0.54) F9F7F3F10F11
SCHEMBL335697 0.86 F7 (0.52) F9F7F3F10F11
SCHEMBL335183 0.85 ALDH1A1 (0.55) F9F7F3F10F11
SCHEMBL335786 0.84 F9 (0.51) F9F7F3F10F11
SCHEMBL335293 0.84 F9 (0.48) F9F7F3F10F11
SCHEMBL336042 0.84 F9 (0.48) F9F7F3F10F11
SCHEMBL335322 0.83 F9 (0.64) F9F7F3F10F11
SCHEMBL335793 0.83 F9 (0.50) F9F7F3F10F11

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 3 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

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.