SCHEMBL4880397

SCHEMBL4880397

Cc1cc(C(=O)OC(C)(C)C)c(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ATR Q13535 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
GABRA1 P14867 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRA4 P48169 3/20 0.35
GABRA6 Q16445 3/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL24501082 0.87 ATR (0.39) CA12CA1CA2CA9CNR1
SCHEMBL29446126 0.83 CA12 (0.39) CA12CA1CA2CA9CNR1
SCHEMBL14979283 0.81 KMT2A (0.37) MEN1KMT2A
SCHEMBL4750181 0.81 GAA (0.42) MEN1KMT2ANFKB1NFKB2RELA
SCHEMBL29446124 0.80 ATR (0.36) CA12CA1CA2CA9CNR1
SCHEMBL26287884 0.79 CYP4F2 (0.51) CA12CA1CA2CA9MEN1
SCHEMBL29974722 0.79 CYP4F2 (0.51) CA12CA1CA2CA9MEN1
SCHEMBL16454401 0.76 JUN (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14023609 0.75 SORT1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30100715 0.75 SORT1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3

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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP CA12 500/4885CA1 151/4885CA2 184/4885

“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.