SCHEMBL4100714

SCHEMBL4100714

Nc1nc2ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)Nc3ccccc3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.52
FABP6 P51161 1/20 0.52
ACP1 P24666 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 3/20 0.44
NR2E3 Q9Y5X4 3/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PLAU P00749 1/20 0.44
KDR P35968 2/20 0.44
CHEK2 O96017 1/20 0.43
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
TEK Q02763 1/20 0.42

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
SCHEMBL4115801 0.91 GRIN1 (0.53) ABL1FABP6ALDH1A1HPGDKDR
SCHEMBL8214601 0.89 PLAU (0.43) ABL1FABP6ACP1ALDH1A1KDM4E
SCHEMBL4108132 0.89 HTR3E (0.54) ABL1FABP6ALDH1A1KDM4EMEN1
SCHEMBL4115769 0.89 KDR (0.46) ABL1FABP6ACP1MEN1KMT2A
SCHEMBL12313735 0.89 KDR (0.46) ABL1FABP6ACP1MEN1KMT2A
SCHEMBL4113010 0.89 EGFR (0.48) ABL1FABP6ALDH1A1KDM4EMEN1
SCHEMBL4123591 0.88 ACP1 (0.48) ABL1FABP6ACP1ALDH1A1KDM4E
SCHEMBL335832 0.88 ACP1 (0.48) ABL1FABP6ACP1ALDH1A1KDM4E
SCHEMBL4109421 0.88 ACP1 (0.48) ABL1FABP6ACP1ALDH1A1KDM4E
SCHEMBL4113916 0.87 NR2E3 (0.45) ABL1FABP6ACP1ALDH1A1KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069288-B1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2014-03-26 EP claimed
US-8263621-B2 Tartrate derivatives for use as coagulation factor IXa inhibitors SANOFI (FR) 2012-09-11 US claimed
US-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed
EP-2069288-B1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2014-03-26 EP disclosed
US-8263621-B2 Tartrate derivatives for use as coagulation factor IXa inhibitors SANOFI (FR) 2012-09-11 US disclosed
US-8263621-B2 Tartrate derivatives for use as coagulation factor IXa inhibitors SANOFI (FR) 2012-09-11 US disclosed
US-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
US-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
WO-2008031508-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI-AVENTIS (FR) 2008-03-20 WO 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-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, TFPI2, F9 ABL1 1021/4885FABP6 2884/4885ACP1 724/4885

“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.