SCHEMBL478869

SCHEMBL478869

COC(=O)Nc1ccc(-c2cc(C(Cc3cc([S@+](C)[O-])n(C)n3)NC(=O)OC(C)(C)C)n[nH]c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F11 P03951 11/20 0.42
MAPK14 Q16539 1/20 0.33
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
F9 P00740 1/20 0.32
KLKB1 P03952 1/20 0.32
PTPRB P23467 3/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
CYP17A1 P05093 2/20 0.31
KLK1 P06870 1/20 0.31
JAK2 O60674 1/20 0.30

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
SCHEMBL478868 1.00 F11 (0.42) F11MAPK14F10PLGPLAT
SCHEMBL478870 0.91 F11 (0.38) F11MAPK14PRMT5WDR77PTPRB
SCHEMBL478802 0.82 F11 (0.44) F11F10PLGPLATPRMT5
SCHEMBL478811 0.80 F11 (0.58) F11F10PLGPLATF9
SCHEMBL478746 0.79 F11 (0.46) F11F10PLGPLATF9
SCHEMBL478745 0.79 F11 (0.46) F11F10PLGPLATF9
SCHEMBL479068 0.79 F11 (0.44) F11PTPRBCYP17A1
SCHEMBL478617 0.79 F11 (0.49) F11F10PLGPLATF9
SCHEMBL478420 0.78 F11 (0.74) F11F10PLGPLATF9
SCHEMBL12910180 0.78 F11 (0.74) F11F10PLGPLATF9

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 3 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

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 1/4885MAPK14 926/4885F10 14/4885

“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.