SCHEMBL1899655

SCHEMBL1899655

COC(=O)c1ccc(OB(O)O)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
MAPT P10636 6/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 5/20 0.47
NOTUM Q6P988 1/20 0.46
KMT2A Q03164 3/20 0.44
USP2 O75604 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL29690359 1.00 MGLL (0.49) MGLLMAPTCA1CA2CA12
SCHEMBL1899654 0.88 MAPT (0.50) MGLLMAPTCA1CA2CA12
SCHEMBL7979582 0.83 CA12 (0.50) CA1CA2CA12CA7CA9
SCHEMBL35861 0.82 MAPT (0.64) MGLLMAPTCA1CA2CA12
SCHEMBL28078717 0.82 LMNA (0.50) MAPTCA1CA2CA12CA7
SCHEMBL27898472 0.82 KMT2A (0.52) MAPTCA1CA2CA12CA7
SCHEMBL27840247 0.82 USP2 (0.61) MAPTCA1CA2CA12CA7
Hydrochloric Acid SCHEMBL27839554 0.81 USP2 (0.60) MAPTCA1CA2CA12CA7
SCHEMBL14933935 0.79 NOTUM (0.58) MGLLMAPTCA1CA2CA12
SCHEMBL28230672 0.79 NOTUM (0.48) MAPTCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935727-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-20090124689-A1 CETP Inhibitors MERCK SHARP & DOHME CORP. 2009-05-14 US disclosed
EP-1951053-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-06 EP disclosed
WO-2007047591-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-04-26 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-20090124689-A1 CETP Inhibitors CETP, APOB, MTTP MGLL 101/4885MAPT 2282/4885CA1 4852/4885

“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.