SCHEMBL335886

SCHEMBL335886

CCN(CC)c1ccc(C(=O)NC(c2ccccc2OC(F)(F)F)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.37
F9 P00740 2/20 0.37
ABL1 P00519 1/20 0.37
IKBKB O14920 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
F3 P13726 1/20 0.35
F11 P03951 1/20 0.35
MAPK1 P28482 1/20 0.35
ESRRG P62508 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CHEK2 O96017 1/20 0.34
HCRTR1 O43613 1/20 0.34
CACNA1B Q00975 1/20 0.34

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
SCHEMBL336065 0.88 PDE2A (0.40) F7F9ABL1MAPTKDR
SCHEMBL335555 0.88 MAPT (0.39) F7F9ABL1IKBKBMAPT
SCHEMBL336996 0.88 MEN1 (0.44) MAPTMEN1KMT2AESRRGSMN1; SMN2
SCHEMBL335191 0.88 MAPT (0.45) F7F9ABL1IKBKBMAPT
SCHEMBL335524 0.87 NR2E3 (0.43) F7F9IKBKBMAPTMEN1
SCHEMBL335484 0.85 MAPT (0.43) F7F9ABL1IKBKBMAPT
SCHEMBL335848 0.84 MCHR1 (0.42) F7F9IKBKBMAPTKDR
SCHEMBL335303 0.82 MAPT (0.40) F7F9IKBKBMAPTKDR
SCHEMBL335732 0.82 MAPT (0.36) F7F9IKBKBMAPTMEN1
SCHEMBL335959 0.82 MAPT (0.41) F7F9IKBKBMAPTMEN1

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 F7 6/4885F9 3/4885ABL1 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.