SCHEMBL4887112

SCHEMBL4887112

CCOC(=O)/C(=C/N(C)C)C(=O)c1cc(F)cc(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.49
CES1 P23141 3/20 0.49
MAPT P10636 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
RIPK1 Q13546 2/20 0.35
GLO1 Q04760 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 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
SCHEMBL4887115 1.00 CES2 (0.49) CES2CES1MAPTMEN1KMT2A
SCHEMBL4567521 0.88 MEN1 (0.40) MAPTMEN1KMT2ANPSR1CYP2C9
SCHEMBL30843044 0.88 MEN1 (0.40) MAPTMEN1KMT2ANPSR1CYP2C9
SCHEMBL9561731 0.88 MEN1 (0.40) MAPTMEN1KMT2ANPSR1CYP2C9
SCHEMBL3695378 0.88 MEN1 (0.40) MAPTMEN1KMT2ANPSR1CYP2C9
SCHEMBL3294935 0.87 MEN1 (0.38) CES2CES1MAPTMEN1KMT2A
SCHEMBL3294938 0.87 MEN1 (0.38) CES2CES1MAPTMEN1KMT2A
SCHEMBL7519196 0.87 MEN1 (0.40) MAPTMEN1KMT2ANPSR1CYP2C9
SCHEMBL7519192 0.87 MEN1 (0.40) MAPTMEN1KMT2ANPSR1CYP2C9
SCHEMBL9562415 0.85 CYP2C9 (0.40) MAPTMEN1KMT2ANPSR1CYP2C9

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-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
EP-1824497-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050943-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 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-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 CES2 1906/4885CES1 976/4885MAPT 3953/4885

“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.