SCHEMBL336152

SCHEMBL336152

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.46
ROCK2 O75116 1/20 0.41
ESRRG P62508 1/20 0.40
MCHR1 Q99705 3/20 0.39
F7 P08709 7/20 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
MAPT P10636 1/20 0.38
PRMT3 O60678 1/20 0.37
DOT1L Q8TEK3 1/20 0.37
SETD7 Q8WTS6 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
PRMT7 Q9NVM4 1/20 0.37
F3 P13726 1/20 0.37

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
SCHEMBL335988 0.91 F9 (0.44) F9ESRRGF7F10F11
SCHEMBL335372 0.91 F9 (0.43) F9ESRRGF7F10F11
SCHEMBL335293 0.90 F9 (0.48) F9ESRRGF7F10F11
SCHEMBL336042 0.90 F9 (0.48) F9ESRRGF7F10F11
SCHEMBL335836 0.89 F9 (0.49) F9ROCK2F7F10F11
SCHEMBL335731 0.86 F9 (0.47) F9ROCK2ESRRGF7F10
SCHEMBL336900 0.85 F9 (0.47) F9ESRRGF7F10F11
SCHEMBL335167 0.85 F9 (0.44) F9ESRRGF7F10F11
SCHEMBL336541 0.84 ALDH1A1 (0.47) F9ESRRGF7F10F11
SCHEMBL334986 0.84 MAPT (0.44) F9ESRRGF7F10MAPT

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 3/4885ROCK2 3604/4885ESRRG 4101/4885

“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.