SCHEMBL478722

SCHEMBL478722

COC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(-c2ccc(NC(=O)OC)cc2)c(Cl)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 10/20 0.45
F10 P00742 1/20 0.45
PLG P00747 1/20 0.45
PLAT P00750 1/20 0.45
CYP17A1 P05093 3/20 0.39
F9 P00740 1/20 0.38
KLKB1 P03952 1/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC10 Q969S8 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
PSMB8 P28062 1/20 0.35
MAP4K4 O95819 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL478721 1.00 F11 (0.45) F11F10PLGPLATCYP17A1
SCHEMBL478832 0.93 F11 (0.45) F11F10PLGPLATCYP17A1
SCHEMBL478834 0.93 F11 (0.45) F11F10PLGPLATCYP17A1
SCHEMBL478770 0.88 F11 (0.41) F11F10PLGPLATCYP17A1
SCHEMBL478771 0.88 F11 (0.41) F11F10PLGPLATCYP17A1
SCHEMBL478973 0.86 F11 (0.57) F11F10PLGPLATF9
SCHEMBL479133 0.83 F11 (0.60) F11F10PLGPLATF9
SCHEMBL478784 0.81 F11 (0.43) F11F10PLGPLATF9
SCHEMBL478783 0.81 F11 (0.43) F11F10PLGPLATF9
SCHEMBL478974 0.79 F11 (0.42) F11F10PLGPLATCYP17A1

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 1/4885F10 14/4885PLG 27/4885

“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.