SCHEMBL335916

SCHEMBL335916

Nc1nc2ccc(NC(=O)C(O)C(NC(=O)c3ccc(OC(F)(F)F)cc3)c3ccccc3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.46
ACP1 P24666 2/20 0.43
F9 P00740 3/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
PDE2A O00408 3/20 0.41
ABL1 P00519 1/20 0.40
FABP6 P51161 1/20 0.40
F7 P08709 1/20 0.40
HDAC3 O15379 1/20 0.40
APP P05067 1/20 0.40
ACHE P22303 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL336586 0.90 GRIN1 (0.44) ACP1F9KDRTEKABL1
SCHEMBL336413 0.90 ACP1 (0.44) ACP1F9KDRTEKABL1
SCHEMBL334843 0.89 KDR (0.45) F9KDRABL1FABP6F7
SCHEMBL336367 0.88 MAPT (0.47) ACP1F9ABL1FABP6F7
SCHEMBL335420 0.88 NPC1 (0.46) F9ABL1FABP6F7HDAC3
SCHEMBL335948 0.87 ABL1 (0.45) ACP1F9ABL1FABP6F7
SCHEMBL335376 0.87 PDE2A (0.45) ACP1F9KDRTEKPDE2A
SCHEMBL335396 0.87 F7 (0.44) F9F7MEN1KMT2ASMN1; SMN2
SCHEMBL8219489 0.86 F9 (0.43) ACP1F9ABL1FABP6F7
SCHEMBL335390 0.86 ABL1 (0.44) ACP1F9ABL1FABP6F7

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 6 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-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 MTOR 56/4885ACP1 1423/4885F9 3/4885

“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.