SCHEMBL13619486

SCHEMBL13619486

CCOC(=O)C[C@H](NC(=O)OCc1ccccc1)c1cccc(NC(=O)OCCc2ccc(Br)cc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL13619498 1.00 PPARG (0.43) PPARGHTTL3MBTL1MGLL
SCHEMBL3857652 0.93 PPARG (0.45) PPARGMGLL
SCHEMBL3857886 0.89 PPARG (0.42) PPARGMGLL
SCHEMBL3857875 0.89 PPARG (0.42) PPARGMGLL
SCHEMBL3865148 0.89 PPARG (0.42) PPARGMGLL
SCHEMBL3862897 0.87 PPARG (0.47) PPARGHTTL3MBTL1MGLL
SCHEMBL3862893 0.87 PPARG (0.47) PPARGHTTL3MBTL1MGLL
SCHEMBL3946212 0.87 PPARG (0.47) PPARGHTTL3MBTL1MGLL
SCHEMBL13331175 0.85 HTT (0.42) PPARGHTTL3MBTL1
SCHEMBL13331138 0.85 PPARG (0.44) PPARGMGLL

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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 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 (2 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 PPARG 4622/4885HTT 4412/4885L3MBTL1 513/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 PPARG 4622/4885HTT 4412/4885L3MBTL1 513/4885

“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.