SCHEMBL762984

SCHEMBL762984

C[C@@H](O)C(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 1/20 0.52
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.44
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43

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
SCHEMBL3054776 1.00 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL2115037 1.00 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL738198 0.84 SMN1; SMN2 (0.54) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL13324885 0.83 MEN1 (0.41) CYP3A4KMT2AALDH1A1MEN1TP53
SCHEMBL8487300 0.83 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL824919 0.83 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL828715 0.83 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL5486914 0.83 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL5778346 0.82 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL13912231 0.82 SMN1; SMN2 (0.58) SMN1; SMN2PKMCYP3A4CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015150947-A1 A PROCESS FOR THE PREPARATION OF ISAVUCONAZOLE AND ITS INTERMEDIATES WOCKHARDT LIMITED (IN) 2015-10-08 WO claimed
WO-2015150947-A1 A PROCESS FOR THE PREPARATION OF ISAVUCONAZOLE AND ITS INTERMEDIATES WOCKHARDT LIMITED (IN) 2015-10-08 WO disclosed
WO-2015150947-A1 A PROCESS FOR THE PREPARATION OF ISAVUCONAZOLE AND ITS INTERMEDIATES WOCKHARDT LIMITED (IN) 2015-10-08 WO disclosed
US-9133145-B2 Methods of use of inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. (US) 2015-09-15 US disclosed
EP-1751108-B1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC (US) 2014-07-30 EP disclosed
US-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC. (US) 2013-12-19 US disclosed
US-8415354-B2 Methods of use of inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2013-04-09 US disclosed
US-8372841-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2013-02-12 US disclosed
US-20120302745-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS THIRUVENGADAM TIRUVETTIPURAM K (US) 2012-11-29 US disclosed
EP-1940387-B1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF (-)-HALOFENATE AND INTERMEDIATES THEREOF METABOLEX INC (US) 2012-11-28 EP disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP disclosed
US-7220773-B2 Heterocylic amines used as antidiabetic or hyperglycemic agents DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-22 US disclosed
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBVIE INC. 2005-12-15 US disclosed
US-20040162331-A1 Pyrrole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-08-19 US disclosed
EP-1386913-A1 PYRROLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-02-04 EP disclosed
US-6300353-B1 FOR THERAPY OF FUNGAL INFECTIONS BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2001-10-09 US disclosed
WO-1999045008-A1 3-[4-(4-CYANOPHENYL)THIAZOL-2-Y)]-1-(1H-1,2,4-TRIAZOL-1-YL)-BUTAN-2-OL DERIVATIVES HAVING ANTIFUNGAL ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 1999-09-10 WO disclosed
EP-0728752-A1 Triazole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-28 EP disclosed
US-5405861-A Fungicides TAKEDA CHEMICAL INDUSTRIES, CO., LTD. (JP) 1995-04-11 US disclosed
EP-0421210-A2 Triazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP 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 (4 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-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 1583/4885PKM 2142/4885CYP3A4 499/4885
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 3613/4885PKM 2493/4885CYP3A4 342/4885
US-20040162331-A1 Pyrrole derivative SLC5A1, GLP1R, SLC5A2 SMN1; SMN2 4098/4885PKM 514/4885CYP3A4 1398/4885
US-20120302745-A1 EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS CHKB, BDKRB1, EDNRB SMN1; SMN2 4669/4885PKM 1550/4885CYP3A4 628/4885

“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.