SCHEMBL478620

SCHEMBL478620

COC(=O)Nc1ccc(-c2cc(C[C@H](NC(=O)OC(C)(C)C)c3ccc(F)cc3)n[nH]c2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.37
MAPK1 P28482 7/20 0.37
CYP17A1 P05093 2/20 0.36
SCN9A Q15858 2/20 0.36
PTPRB P23467 2/20 0.35
RORC P51449 2/20 0.34
PABPC1 P11940 1/20 0.34
PSMB8 P28062 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL478814 0.91 F11 (0.43) F11CYP17A1SCN9APTPRB
SCHEMBL478977 0.91 ROCK2 (0.41) F11MAPK1SCN9ACTSSCTSK
SCHEMBL478617 0.85 F11 (0.49) F11CYP17A1SCN9APTPRBRORC
SCHEMBL478991 0.83 CYP17A1 (0.39) F11MAPK1CYP17A1SCN9ACTSS
SCHEMBL479155 0.83 PDE3B (0.43) F11MAPK1
SCHEMBL479069 0.82 F11 (0.38) F11CYP17A1PTPRBPSMB8
SCHEMBL479282 0.82 F11 (0.37) F11CYP17A1PTPRBRORCPSMB8
SCHEMBL478803 0.81 F11 (0.41) F11CYP17A1PTPRBPSMB8
SCHEMBL478976 0.79 F11 (0.49) F11MAPK1CTSSCTSK
SCHEMBL478870 0.79 F11 (0.38) F11CYP17A1PTPRBRORCPSMB8

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 1/4885MAPK1 778/4885CYP17A1 1025/4885

“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.