SCHEMBL4100731

SCHEMBL4100731

Cc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)Nc2ccc(CN)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.54
KLK1 P06870 3/20 0.54
KLK6 Q92876 2/20 0.54
MAPT P10636 1/20 0.51
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 2/20 0.47
F9 P00740 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KIF11 P52732 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2642980 0.80 CA12 (0.57) PLGKLK1KLK6MAPTKMT2A
SCHEMBL699996 0.80 MAPT (0.58) MAPTNPC1POLBKMT2AMEN1
SCHEMBL4086777 0.80 MAPT (0.58) MAPTNPC1POLBKMT2AMEN1
SCHEMBL28288605 0.79 NPC1 (0.73) PLGKLK1KLK6MAPTNPC1
SCHEMBL21533085 0.79 PLG (0.51) PLGKLK1KLK6MAPTNPC1
SCHEMBL506399 0.79 NPC1 (0.73) PLGKLK1KLK6MAPTNPC1
SCHEMBL27966405 0.77 F9 (0.57) PLGKLK1KLK6MAPTGAA
SCHEMBL4100751 0.76 HPN (0.61) PLGF9
SCHEMBL4113391 0.76 KMT2A (0.43) MAPTNPC1POLBGAAMAPK1
SCHEMBL4113384 0.76 KMT2A (0.43) MAPTNPC1POLBGAAMAPK1

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 10 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
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-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
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 PLG 57/4885KLK1 260/4885KLK6 719/4885

“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.