SCHEMBL3336877

SCHEMBL3336877

CC1(C)OC[C@@H](/C=C/C(=O)O)O1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LANCL2 Q9NS86 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
UGT2B7 P16662 2/20 0.32
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
TBXA2R P21731 1/20 0.32
TBXAS1 P24557 1/20 0.30
CA2 P00918 2/20 0.30

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
SCHEMBL9287929 1.00 LANCL2 (0.32) LANCL2HCRTR1HCRTR2UGT2B7TMEM97
SCHEMBL3001100 1.00 LANCL2 (0.32) LANCL2HCRTR1HCRTR2UGT2B7TMEM97
SCHEMBL17822576 1.00 LANCL2 (0.32) LANCL2HCRTR1HCRTR2UGT2B7TMEM97
SCHEMBL3001106 1.00 LANCL2 (0.32) LANCL2HCRTR1HCRTR2UGT2B7TMEM97
SCHEMBL3336886 1.00 LANCL2 (0.32) LANCL2HCRTR1HCRTR2UGT2B7TMEM97
SCHEMBL3001104 1.00 LANCL2 (0.32) LANCL2HCRTR1HCRTR2UGT2B7TMEM97
SCHEMBL3010731 1.00 LANCL2 (0.32) LANCL2HCRTR1HCRTR2UGT2B7TMEM97
SCHEMBL15345921 0.82 UGT2B7 (0.33) LANCL2UGT2B7
SCHEMBL15345922 0.82 UGT2B7 (0.33) LANCL2UGT2B7
SCHEMBL3989029 0.81 HCAR2 (0.39) HCRTR1HCRTR2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002288-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2022-01-06 US disclosed
EP-3882246-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2021-09-22 EP disclosed
EP-3344630-B1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-09 EP disclosed
US-10314823-B2 Substituted 1,2-dihydro-3H-pyrrolo[1,2-c]imidazol-3-one antibacterial compounds IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-11 US disclosed
US-20190031676-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-01-31 US disclosed
US-20180250273-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-c]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS IDORSIA PHARMACEUTICALS LTD. (CH) 2018-09-06 US disclosed
EP-2121665-B1 NITRODERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-22 EP disclosed
US-20100152259-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK & CO INC. (US) 2010-06-17 US disclosed
US-20080194660-A1 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
US-6566538-B1 Preparation of 5-(aryloxymethyl)-g-butyrolactone derivatives MILLENNIUM PHARMACEUTICALS, INC. 2003-05-20 US disclosed
US-6541647-B2 Active materials; drugs; antiinflammatory agents; antiallergens MILLENNIUM PHARMACEUTICALS, INC. 2003-04-01 US disclosed
EP-1094805-A4 SUBSTITUTED OXYGEN ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF MILLENNIUM PHARM INC (US) 2002-08-28 EP disclosed
US-6433197-B1 REACTING ARYLHYDROXY COMPOUND AND AN EPOXY COMPOUND TO FORM AN EPOXY-ARYL ETHER; REACTING EPOXY-ARYL ETHER WITH ACTIVE METHYLENE COMPOUND TO FORM A LACTONE; REDUCING TO PROVIDE HYDROXY-SUBSTITUTED TETRAHYDROFURAN MILLENNIUM PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-20020040154-A1 Substituted oxygen alicyclic compounds, including methods for synthesis thereof MILLENNIUM PHARMACEUTICALS, INC. 2002-04-04 US disclosed
US-6310221-B1 PREPARING A 4-FLUOROPHENOXYMETHYL-(HYDROXY)-TETRAHYDROFURAN BY REACTING 4-FLUOROPHENOL AND AN EPOXY COMPOUND; REACTING THE EPOXY-PHENYL ETHER WITH AN ACTIVE METHYLENE COMPOUND TO FORM A LACTONE; AND REDUCING THE LACTONE MILLENNIUM PHARMACEUTICALS, INC. 2001-10-30 US disclosed
US-6306895-B1 PREPARATION OF CYCLIC OXYGEN COMPOUNDS, INCLUDING 2,5-DISUBSTITUTED TETAHYDROFURANS, 2,6-DISUBSTITUTED TETRAHYDROPYRANS, 2,7-DISUBSTITUTED OXEPANES AND 2,8-OXOCANES. THE INVENTION ALSO PROVIDES NEW CYCLIC OXYGEN COMPOUNDS AND MILLENIUM PHARMACEUTICALS, INC. 2001-10-23 US disclosed
EP-1102759-A1 METHODS FOR SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN COMPOUND Millennium Pharmaceuticals, Inc. (US) 2001-05-30 EP disclosed
EP-1094805-A1 SUBSTITUTED OXYGEN ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF Millennium Pharmaceuticals, Inc. (US) 2001-05-02 EP disclosed
WO-2000001381-A1 SUBSTITUTED OXYGEN ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF LEUKOSITE, INC. (US) 2000-01-13 WO disclosed
WO-2000001683-A1 METHODS FOR SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN COMPOUND LEUKOSITE, INC. (US) 2000-01-13 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 (7 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-20020040154-A1 Substituted oxygen alicyclic compounds, including methods for synthesis thereof OXER1, COX6C, MT-CO2 LANCL2 1614/4885HCRTR1 772/4885HCRTR2 305/4885
US-10314823-B2 Substituted 1,2-dihydro-3H-pyrrolo[1,2-c]imidazol-3-one antibacterial compounds MRPL21, MRM1, MT-CO1 LANCL2 3554/4885HCRTR1 3544/4885HCRTR2 4587/4885
US-20180250273-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-c]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS MRPL21, MRM1, MT-CO1 LANCL2 3554/4885HCRTR1 3544/4885HCRTR2 4587/4885
US-20080194660-A1 Angiotensin II receptor antagonists AGTR1, AGTR2, REN LANCL2 2498/4885HCRTR1 17/4885HCRTR2 8/4885
US-20220002288-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR BPGM, IL1B, WEE1 LANCL2 495/4885HCRTR1 4091/4885HCRTR2 4358/4885
US-20190031676-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES PYCR1, PSPH, RPSA LANCL2 2418/4885HCRTR1 1475/4885HCRTR2 2490/4885
US-20100152259-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, REN LANCL2 2354/4885HCRTR1 38/4885HCRTR2 12/4885

“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.