SCHEMBL335498

SCHEMBL335498

COc1ccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
F7 P08709 3/20 0.44
F9 P00740 2/20 0.44
F11 P03951 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TYMS P04818 4/20 0.41
ABL1 P00519 1/20 0.40
FABP6 P51161 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 2/20 0.39
DGAT1 O75907 2/20 0.39
F3 P13726 1/20 0.39
ROCK1 Q13464 1/20 0.39
HPSE Q9Y251 1/20 0.38
CHEK2 O96017 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
SCHEMBL334843 0.88 KDR (0.45) F7F9F11TYMSABL1
SCHEMBL335500 0.88 F9 (0.44) F7F9F11L3MBTL1ABL1
SCHEMBL335205 0.87 TYMS (0.42) F7F9F11TYMSABL1
SCHEMBL335390 0.86 ABL1 (0.44) F7F9F11L3MBTL1ABL1
SCHEMBL336367 0.85 MAPT (0.47) F7F9L3MBTL1TYMSABL1
SCHEMBL335878 0.85 ABL1 (0.43) F7F9TYMSABL1FABP6
SCHEMBL335948 0.85 ABL1 (0.45) F7F9L3MBTL1ABL1FABP6
SCHEMBL336586 0.84 GRIN1 (0.44) F7F9ABL1FABP6CHEK2
SCHEMBL8219489 0.84 F9 (0.43) F7F9F11TYMSABL1
SCHEMBL336047 0.84 POLB (0.43) F7F9F11F3DYRK1A

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 TAS1R3 3871/4885TAS1R1 3733/4885F7 6/4885

“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.