SCHEMBL478942

SCHEMBL478942

COC(=O)Nc1ccc(-c2cc([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)nnc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 8/20 0.55
KLKB1 P03952 2/20 0.55
F9 P00740 1/20 0.55
F10 P00742 1/20 0.47
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
ALDH1A1 P00352 5/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 4/20 0.45
HTT P42858 4/20 0.45
NPSR1 Q6W5P4 4/20 0.45
PKM P14618 3/20 0.45
TSHR P16473 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
AGTR1 P30556 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
SCHEMBL478712 0.91 F11 (0.47) F11KLKB1F9F10PLG
SCHEMBL478973 0.90 F11 (0.57) F11KLKB1F9F10PLG
SCHEMBL478546 0.89 F11 (0.50) F11KLKB1F9F10PLG
SCHEMBL478548 0.89 F11 (0.50) F11KLKB1F9F10PLG
SCHEMBL478843 0.89 F11 (0.49) F11KLKB1F9F10PLG
SCHEMBL478829 0.89 F11 (0.47) F11KLKB1F9F10PLG
SCHEMBL478468 0.89 F11 (0.46) F11KLKB1F9F10PLG
SCHEMBL28794861 0.89 F11 (0.46) F11KLKB1F9F10PLG
SCHEMBL27998448 0.88 F11 (0.49) F11KLKB1F9F10PLG
SCHEMBL479039 0.87 F11 (0.45) F11KLKB1F9F10PLG

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 1/4885KLKB1 17/4885F9 33/4885

“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.