SCHEMBL335396

SCHEMBL335396

CCOc1ccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.44
F3 P13726 1/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
F9 P00740 1/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHEK2 O96017 1/20 0.41
DHFR P00374 1/20 0.41

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
SCHEMBL334843 0.91 KDR (0.45) F7MEN1KMT2ANPC1RAB9A
SCHEMBL336586 0.90 GRIN1 (0.44) F7F9CHEK2
SCHEMBL336413 0.90 ACP1 (0.44) F7F3MAPTF9TP53
SCHEMBL335420 0.89 NPC1 (0.46) F7F3MAPTMEN1KMT2A
SCHEMBL335501 0.89 NPC1 (0.43) F7F3MAPTNPC1RAB9A
SCHEMBL335950 0.88 F7 (0.41) F7F3MAPTMEN1KMT2A
SCHEMBL336367 0.88 MAPT (0.47) F7MAPTL3MBTL1TDP1NPC1
SCHEMBL336014 0.88 ABL1 (0.41) F7F3MAPTF9SMN1; SMN2
SCHEMBL335878 0.87 ABL1 (0.43) F7F3MAPTLMNAF9
SCHEMBL335948 0.87 ABL1 (0.45) F7MAPTL3MBTL1TDP1NPC1

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 F7 6/4885F3 18/4885MAPT 3998/4885

“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.