SCHEMBL478617

SCHEMBL478617

COC(=O)Nc1ccc(-c2cc([C@H](Cc3ccc(F)cc3)NC(=O)OC(C)(C)C)n[nH]c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F11 P03951 7/20 0.49
PTPRB P23467 9/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CYP17A1 P05093 1/20 0.39
SCN9A Q15858 1/20 0.39
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
F9 P00740 1/20 0.37
KLKB1 P03952 1/20 0.37
RORC P51449 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
SCHEMBL478811 0.91 F11 (0.58) F11PTPRBF10PLGPLAT
SCHEMBL478976 0.91 F11 (0.49) F11CTSSCTSKF10PLG
SCHEMBL479110 0.86 PPARG (0.40) F11PTPRBCTSSCTSKSCN9A
SCHEMBL479109 0.86 PPARG (0.40) F11PTPRBCTSSCTSKSCN9A
SCHEMBL479068 0.85 F11 (0.44) F11PTPRBCYP17A1
SCHEMBL478745 0.85 F11 (0.46) F11PTPRBCYP17A1F10PLG
SCHEMBL478746 0.85 F11 (0.46) F11PTPRBCYP17A1F10PLG
SCHEMBL478620 0.85 F11 (0.37) F11PTPRBCTSSCTSKCYP17A1
SCHEMBL479154 0.84 F11 (0.51) F11PTPRB
SCHEMBL479279 0.83 F11 (0.43) F11PTPRBCYP17A1

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 1/4885PTPRB 2306/4885CTSS 541/4885

“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.