SCHEMBL2724971

SCHEMBL2724971

COc1ccc(CC(=O)O)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA5A P35218 1/20 0.49
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
PTGS1 P23219 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.41
UCHL1 P09936 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.39
NR1H4 Q96RI1 1/20 0.39
LDHA P00338 1/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL137360 0.88 ALDH1A1 (0.43) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL137326 0.85 UCHL1 (0.47) GAAALDH1A1UCHL1L3MBTL1LMNA
SCHEMBL2725415 0.83 TTR (0.41) ALDH1A1TSHRNFKB1UCHL1HTT
SCHEMBL27875445 0.82 SLC22A12 (0.44) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL3551522 0.81 LPL (0.41) GAAALDH1A1UCHL1HTTLMNA
SCHEMBL28722188 0.81 TPH1 (0.47) ALDH1A1TDP1PTGS1HSD17B10LDHA
SCHEMBL3476855 0.81 GAA (0.39) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL17364642 0.81 LPL (0.39) TSHRNFKB1UCHL1LMNALIPG
SCHEMBL1445630 0.81 PDE4D (0.43) ALDH1A1UCHL1LIPG
SCHEMBL30526866 0.80 LPL (0.37) GAAALDH1A1UCHL1LMNALIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855483-B1 PYRROLOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2017-10-25 EP disclosed
EP-2632269-B1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONES AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2017-03-15 EP disclosed
US-9365576-B2 Pyrrolopyrrolidinone compounds NOVARTIS AG (CH) 2016-06-14 US disclosed
US-9365576-B2 Pyrrolopyrrolidinone compounds NOVARTIS AG (CH) 2016-06-14 US disclosed
US-9221834-B2 Cyclic amine substituted oxazolidinone CETP inhibitor MERCK SHARP & DOHME CORP. (US) 2015-12-29 US disclosed
EP-2855483-A1 PYRROLOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2015-04-08 EP disclosed
US-20130331372-A1 Cyclic Amine Substituted Oxazolidinone CETP Inhibitor MERCK SHARP & DOHME CORP. 2013-12-12 US disclosed
WO-2013175417-A1 PYRROLOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2013-11-28 WO disclosed
WO-2013175417-A1 PYRROLOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2013-11-28 WO disclosed
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
EP-2632269-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058187-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 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 (2 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP GAA 1668/4885ALDH1A1 3603/4885TSHR 3089/4885
US-20130331372-A1 Cyclic Amine Substituted Oxazolidinone CETP Inhibitor CETP, APOB, MTTP GAA 3217/4885ALDH1A1 2647/4885TSHR 3756/4885

“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.