SCHEMBL3866170

SCHEMBL3866170

Cc1cc(B(O)O)ccc1CCOC(=O)Nc1cccc(C(C)NC(=O)OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
MGLL Q99685 3/20 0.44
AAK1 Q2M2I8 1/20 0.41
ENPP2 Q13822 2/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL3959233 1.00 PPARG (0.45) PPARGMGLLAAK1ENPP2MEN1
SCHEMBL3866165 1.00 PPARG (0.45) PPARGMGLLAAK1ENPP2MEN1
SCHEMBL3862897 0.88 PPARG (0.47) PPARGMGLLAAK1ENPP2HTT
SCHEMBL3946212 0.88 PPARG (0.47) PPARGMGLLAAK1ENPP2HTT
SCHEMBL3862893 0.88 PPARG (0.47) PPARGMGLLAAK1ENPP2HTT
SCHEMBL3857886 0.87 PPARG (0.42) PPARGMGLLAAK1
SCHEMBL3857875 0.87 PPARG (0.42) PPARGMGLLAAK1
SCHEMBL3865148 0.87 PPARG (0.42) PPARGMGLLAAK1
SCHEMBL4706621 0.83 L3MBTL1 (0.48) MGLLENPP2LMNAMAPTSMN1; SMN2
SCHEMBL3858673 0.80 MGLL (0.43) MGLLENPP2MAPTSMN1; SMN2ATM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
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
EP-1971582-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-09-24 EP disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007076431-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-05 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 (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 4622/4885MGLL 1018/4885AAK1 3074/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 PPARG 4622/4885MGLL 1018/4885AAK1 3074/4885

“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.