SCHEMBL2904830

SCHEMBL2904830

COCc1cc(C)cc(CO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
MAPT P10636 2/20 0.36
PARP10 Q53GL7 1/20 0.35
TACR1 P25103 6/20 0.34
ALDH1A1 P00352 2/20 0.33
SLC7A5 Q01650 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCA P17252 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
PRKCE Q02156 1/20 0.31
KMT2A Q03164 1/20 0.31
MYLK Q15746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IDO1 P14902 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL14949281 0.91 ACHE (0.48) ACHEMAPTALDH1A1POLBMEN1
SCHEMBL8256610 0.89 PGK1 (0.39) ACHEPGK1PGK2PARP10TACR1
Methoxymethane SCHEMBL27768340 0.86 PGK1 (0.43) ACHEPGK1PGK2MAPTALDH1A1
SCHEMBL23734489 0.84 ACHE (0.61) ACHEMAPTALDH1A1MEN1PRKCG
SCHEMBL14949268 0.84 ACHE (0.42) ACHEMAPTALDH1A1MEN1PRKCG
SCHEMBL1144911 0.84 TACR1 (0.41) PARP10TACR1ALDH1A1POLBIDO1
SCHEMBL501769 0.83 PGK1 (0.48) ACHEPGK1PGK2MAPTALDH1A1
SCHEMBL13376377 0.83 ADRB2 (0.37) ACHEPGK1PGK2TACR1POLB
SCHEMBL19142118 0.83 ACHE (0.41) ACHEMAPTALDH1A1POLBMEN1
SCHEMBL1620230 0.81 GRIN2D (0.47) ACHEMAPTALDH1A1

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
EP-1989194-B1 CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2010-08-25 EP disclosed
US-20090099207-A1 Cyclic sulfones useful as BACE inhibitors RUEEGER HEINRICH 2009-04-16 US disclosed
CN-101384580-A Cyclic sulfones useful as BACE inhibitors NOVARTIS AG (CH) 2009-03-11 CN disclosed
EP-1989194-A1 CYCLIC SULFONES USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007093621-A1 CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-08-23 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-20090099207-A1 Cyclic sulfones useful as BACE inhibitors BACE1, BACE2, APP ACHE 352/4885PGK1 3393/4885PGK2 3742/4885

“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.