SCHEMBL3010731

SCHEMBL3010731

CC1(C)OCC(/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
SCHEMBL3336877 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
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633390-B2 Process for the preparation of [(1S,2R)-3-[[(4-aminophenyl)sulfonyl] (2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-carbamic acid (3R,3AS,6AR)hexahydro furo [2,3-B]furan-3-YL ester and its amorphous form MSN LABORATORIES PRIVATE LIMITED (IN) 2020-04-28 US claimed
US-20180370982-A1 PROCESS FOR THE PREPARATION OF [(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL] (2-METHYLPROPYL)AMINO]-2-HYDROXY-1-(PHENYLMETHYL)PROPYL]-CARBAMIC ACID (3R,3AS,6AR)HEXAHYDRO FURO[2,3-B]FURAN-3-YL ESTER AND ITS AMORPHOUS FORM MSN LABORATORIES PRIVATE LIMITED (IN) 2018-12-27 US claimed
EP-3313847-A1 PROCESS FOR THE PREPARATION OF [(1 S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](2-METHYLPROPYL)AMINO]-2-HYDROXY-1 -(PHENYLMETHYL)PROPYL]-CARBAMIC ACID (3R,3AS,6AR)HEXAHYDRO FURO[2,3-B]FURAN-3-YL ESTER AND ITS AMORPHOUS FORM MSN Laboratories Private Limited (IN) 2018-05-02 EP claimed
WO-2016207907-A1 PROCESS FOR THE PREPARATION OF [(1 S,2R)-3-[[(4-AMINOPHENYL)SULFONYL] (2-METHYLPROPYL)AMINO]-2-HYDROXY-1 -(PHENYLMETHYL)PROPYL]-CARBAMIC ACID (3R,3AS,6AR)HEXAHYDRO FURO[2,3-B]FURAN-3-YL ESTER AND ITS AMORPHOUS FORM MSN LABORATORIES PRIVATE LIMITED (IN) 2016-12-29 WO claimed
CN-113816978-A Diamine-boronic ester complex and preparation method and application thereof 北京大学 2021-12-21 CN disclosed
CN-107980042-B Aryldihydro-2H-benzo [ b ] [1,4] oxazine sulfonamides and related compounds as ROR gamma agonists and for the treatment of disease 莱斯拉公司 2021-10-08 CN disclosed
US-11059796-B2 Aryl dihydro-2H benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-07-13 US disclosed
US-20210061778-A1 ARYL DIHYDRO-2H BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-03-04 US 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-10633390-B2 Process for the preparation of [(1S,2R)-3-[[(4-aminophenyl)sulfonyl] (2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-carbamic acid (3R,3AS,6AR)hexahydro furo [2,3-B]furan-3-YL ester and its amorphous form MSN LABORATORIES PRIVATE LIMITED (IN) 2020-04-28 US 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-20190077797-A1 PROCESSES FOR PREPARING 2-DIHALO RIBOLACTONES EMORY UNIVERSITY 2019-03-14 US disclosed
WO-2017037221-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2017-03-09 WO disclosed
WO-2016207907-A1 PROCESS FOR THE PREPARATION OF [(1 S,2R)-3-[[(4-AMINOPHENYL)SULFONYL] (2-METHYLPROPYL)AMINO]-2-HYDROXY-1 -(PHENYLMETHYL)PROPYL]-CARBAMIC ACID (3R,3AS,6AR)HEXAHYDRO FURO[2,3-B]FURAN-3-YL ESTER AND ITS AMORPHOUS FORM MSN LABORATORIES PRIVATE LIMITED (IN) 2016-12-29 WO disclosed
CN-101848905-A Process for the enantioselective preparation of pregabalin ESTEVE LABOR DR 2010-09-29 CN disclosed
US-20100197939-A1 PROCESS FOR THE ENANTIOSELECTIVE PREPARATION OF PREGABALIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-08-05 US disclosed
US-6518305-B1 For inhibiting neuraminidases from disease- causing microorganisms, especially, influenza neuraminidase ABBOTT LABORATORIES 2003-02-11 US disclosed
WO-2001028979-A2 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-26 WO disclosed
EP-1087938-A1 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 2001-04-04 EP disclosed
WO-1999054290-A1 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 1999-10-28 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-20190077797-A1 PROCESSES FOR PREPARING 2-DIHALO RIBOLACTONES DERA, DPYD, DUS2 LANCL2 2389/4885HCRTR1 2336/4885HCRTR2 2353/4885
US-11059796-B2 Aryl dihydro-2H benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC LANCL2 3685/4885HCRTR1 341/4885HCRTR2 275/4885
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-10633390-B2 Process for the preparation of [(1S,2R)-3-[[(4-aminophenyl)sulfonyl] (2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-carbamic acid (3R,3AS,6AR)hexahydro furo [2,3-B]furan-3-YL ester and its amorphous form FFAR1, CYP2S1, CYP1B1 LANCL2 2404/4885HCRTR1 1258/4885HCRTR2 2134/4885
US-20100197939-A1 PROCESS FOR THE ENANTIOSELECTIVE PREPARATION OF PREGABALIN GABRE, CYP2D6, GABRG2 LANCL2 1467/4885HCRTR1 1977/4885HCRTR2 1411/4885
US-20180370982-A1 PROCESS FOR THE PREPARATION OF [(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL] (2-METHYLPROPYL)AMINO]-2-HYDROXY-1-(PHENYLMETHYL)PROPYL]-CARBAMIC ACID (3R,3AS,6AR)HEXAHYDRO FURO[2,3-B]FURAN-3-YL ESTER AND ITS AMORPHOUS FORM FFAR1, CYP2S1, FFAR3 LANCL2 2343/4885HCRTR1 1277/4885HCRTR2 2123/4885
US-20210061778-A1 ARYL DIHYDRO-2H BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORB, RORA, RORC LANCL2 3625/4885HCRTR1 273/4885HCRTR2 230/4885

“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.