Sugi Predict

Sugi Predict / Compounds / SCHEMBL3835807

SCHEMBL3835807

SCHEMBL3835807

CCOC(=O)C1CC=CN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.41
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ FKBP1A P62942 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ CTSL P07711 1/20 0.32
▸ NR1D1 P20393 1/20 0.32

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
SCHEMBL1571674 1.00 GLA (0.41) GLAMEN1KMT2AALDH1A1TSHR
SCHEMBL1163661 1.00 GLA (0.41) GLAMEN1KMT2AALDH1A1TSHR
SCHEMBL28242504 0.90 GLA (0.36) GLAMEN1KMT2AALDH1A1TSHR
SCHEMBL12105462 0.86 USP2 (0.38) GLAMEN1KMT2AALDH1A1MAPT
SCHEMBL28888385 0.86 USP2 (0.38) GLAMEN1KMT2AALDH1A1MAPT
SCHEMBL16584519 0.86 GLA (0.40) GLAMEN1KMT2AALDH1A1TSHR
SCHEMBL16584521 0.86 GLA (0.40) GLAMEN1KMT2AALDH1A1TSHR
SCHEMBL16546872 0.86 GLA (0.40) GLAMEN1KMT2AALDH1A1TSHR
SCHEMBL15152457 0.84 POLB (0.35) GLATSHRUSP2SMN1; SMN2NR1H2
SCHEMBL15152458 0.84 POLB (0.35) GLATSHRUSP2SMN1; SMN2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809024-B2 Process for preparing dipeptidyl peptidase IV inhibitors and intermediates therefor ASTRAZENECA AB (SE) 2014-08-19 — — US claimed
US-20130204012-A1 Process For Preparing Dipeptidyl Peptidase IV Inhibitors And Intermediates Therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-08 — — US claimed
WO-2013111158-A2 PROCESS FOR THE PREPARATION OF DPP-IV INHIBITOR MSN LABORATORIES LIMITED (IN) 2013-08-01 — — WO claimed
CN-106554301-A A kind of preparation method of BMS-477118 key intermediate 深圳翰宇药业股份有限公司 2017-04-05 — — CN disclosed
US-9181279-B2 Cyclic amine derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2015-11-10 — — US disclosed
EP-2729445-B1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-10-21 — — EP disclosed
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 — — US disclosed
US-20150087626-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2015-03-26 — — US disclosed
EP-2729445-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm S.p.A. (IT) 2014-05-14 — — EP disclosed
CN-103467362-A S-diphenyl prolinol chiral small organic molecular compound with cyclopropane structure and synthetic method thereof UNIV JIAXING 2013-12-25 — — CN disclosed
CN-103467361-A Morpholine derivative with S-proline in cyclopropane structure and preparation method thereof UNIV JIAXING 2013-12-25 — — CN disclosed
EP-2094690-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 — — EP disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 — — US disclosed
US-7420079-B2 Methods and compounds for producing dipeptidyl peptidase IV inhibitors and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 — — US disclosed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 — — WO disclosed
US-20070207527-A1 ENZYMATIC AMMONOLYSIS PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR DPP IV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 — — US disclosed
US-7223573-B2 Enzymatic ammonolysis process for the preparation of intermediates for DPP IV inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 — — US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 — — WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 — — WO disclosed
US-20050256019-A1 Enzymatic ammonolysis process for the preparation of intermediates for DPP IV inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-17 — — 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 (3 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-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E GLA 2550/4885MEN1 4103/4885KMT2A 1580/4885
US-20130204012-A1 Process For Preparing Dipeptidyl Peptidase IV Inhibitors And Intermediates Therefor DNPEP, DPP4, PEPD GLA 3582/4885MEN1 2318/4885KMT2A 2694/4885
US-20150087626-A1 CYCLIC AMINE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER3 GLA 4043/4885MEN1 1923/4885KMT2A 1971/4885

“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.