SCHEMBL3946216

SCHEMBL3946216

Cc1cc(Br)ccc1C(C)OC(=O)Nc1cccc(C(C)NC(=O)OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MGLL Q99685 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AAK1 Q2M2I8 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL3946212 0.84 PPARG (0.47) PPARGHTTMGLLL3MBTL1AAK1
SCHEMBL3862893 0.84 PPARG (0.47) PPARGHTTMGLLL3MBTL1AAK1
SCHEMBL3862897 0.84 PPARG (0.47) PPARGHTTMGLLL3MBTL1AAK1
SCHEMBL27753619 0.82 PPARG (0.60) PPARGHTTMEN1LMNAMAPT
SCHEMBL6673601 0.80 ATM (0.56) PPARGHTTL3MBTL1AAK1ATM
SCHEMBL6858626 0.80 ATM (0.56) PPARGHTTL3MBTL1AAK1ATM
SCHEMBL13331175 0.78 HTT (0.42) PPARGHTTL3MBTL1
SCHEMBL27733204 0.76 PPARG (0.49) PPARGLMNA
SCHEMBL8168704 0.75 PPARG (0.40) PPARGHTTMGLLL3MBTL1AAK1
SCHEMBL21404926 0.74 ATM (0.60) MEN1LMNAKMT2ASMN1; 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 3 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

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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 PPARG 4622/4885HTT 4412/4885MEN1 970/4885

“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.