SCHEMBL830156

SCHEMBL830156

CC(C)(C)OC(=O)N1CCC(c2ccccc2)[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
RIPK1 Q13546 3/20 0.46
TACR1 P25103 4/20 0.43
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 2/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HCRTR2 O43614 1/20 0.41
GRM5 P41594 2/20 0.41

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
SCHEMBL14343619 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL30700513 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL830155 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL2299757 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL29063356 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL4198304 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL1595217 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL15185071 1.00 RORC (0.46) RORCGPR119RIPK1TACR1NR1H2
SCHEMBL829709 0.92 RIPK1 (0.51) RORCGPR119RIPK1HCRTR2
SCHEMBL829779 0.92 RIPK1 (0.51) RORCGPR119RIPK1HCRTR2

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-12 US disclosed
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-8378099-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACUETICALS, INC. (US) 2013-02-19 US disclosed
US-8143405-B2 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp (US) 2012-03-27 US disclosed
EP-2077719-B1 PIPERIDINE AND PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2011-12-28 EP disclosed
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-8003791-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
EP-1326834-B1 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS H LEE MOFFITT CANCER CT & RES (US) 2011-06-29 EP disclosed
US-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2010-02-18 US disclosed
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 US disclosed
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 WO disclosed
WO-2002032868-A2 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE IN TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 WO disclosed
US-6297217-B1 TREATMENT OF CANCER WITH PROTEASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2001-10-02 US disclosed
US-6083903-A REDUCE RATE OF DEGRADATION OF PROTEINS IN ANIMAL LEUKOSITE, INC. (US) 2000-07-04 US disclosed
US-6066730-A Boronic ester and acid compounds, synthesis and uses PROSCRIPT, INC. 2000-05-23 US disclosed
US-5780454-A Boronic ester and acid compounds PROSCRIPT, INC. (US) 1998-07-14 US disclosed
EP-0788360-A4 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT INC (US) 1998-05-06 EP disclosed
EP-0788360-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1997-08-13 EP disclosed
WO-1996013266-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1996-05-09 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 (6 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-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B RORC 3643/4885GPR119 530/4885RIPK1 844/4885
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B RORC 3643/4885GPR119 530/4885RIPK1 844/4885
US-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI RORC 3467/4885GPR119 3446/4885RIPK1 2415/4885
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B RORC 3643/4885GPR119 530/4885RIPK1 844/4885
US-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, PSEN1 RORC 2332/4885GPR119 2152/4885RIPK1 2534/4885
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B RORC 3643/4885GPR119 530/4885RIPK1 844/4885

“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.