SCHEMBL479027

SCHEMBL479027

COC(=O)Nc1ccc(-c2cc([C@H](CCC3CCN(C(=O)OC(C)(C)C)CC3)NC(=O)OCc3ccccc3)n[nH]c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 5/20 0.43
YAP1 P46937 3/20 0.43
BACE1 P56817 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NTSR1 P30989 1/20 0.39
PRMT5 O14744 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
KLKB1 P03952 1/20 0.37

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
SCHEMBL479026 1.00 F11 (0.43) F11YAP1BACE1L3MBTL1PARP1
SCHEMBL478434 0.89 F11 (0.42) F11YAP1BACE1PARP1PRMT5
SCHEMBL478437 0.89 F11 (0.42) F11YAP1BACE1PARP1PRMT5
SCHEMBL478516 0.84 PTPN2 (0.44) L3MBTL1MAPTMAPK1PTPN2PTPN1
SCHEMBL478515 0.84 PTPN2 (0.44) L3MBTL1MAPTMAPK1PTPN2PTPN1
SCHEMBL478793 0.82 SYK (0.48) F11BACE1MAPTMAPK1NPSR1
SCHEMBL478460 0.80 F11 (0.47) F11PDE3BPDE3AMEN1POLB
SCHEMBL478524 0.80 BTK (0.43) YAP1BACE1L3MBTL1PARP1MAPT
SCHEMBL478527 0.80 BTK (0.43) YAP1BACE1L3MBTL1PARP1MAPT
SCHEMBL479189 0.80 F11 (0.51) F11MAPTPDE3BPDE3APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 F11 1/4885YAP1 4075/4885BACE1 496/4885

“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.