SCHEMBL343637

SCHEMBL343637

COC(=O)[C@H](N)COC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KIF11 P52732 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
P2RY10 O00398 1/20 0.31
GPR174 Q9BXC1 1/20 0.31
BACE1 P56817 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
DGAT1 O75907 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 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
SCHEMBL343636 1.00 MAPK1 (0.41) MAPK1CA1CA2KIF11SMN1; SMN2
SCHEMBL1588396 1.00 MAPK1 (0.41) MAPK1CA1CA2KIF11SMN1; SMN2
Hydrochloric Acid SCHEMBL29401055 0.98 MAPK1 (0.40) MAPK1CA1CA2KIF11SMN1; SMN2
Hydrochloric Acid SCHEMBL241035 0.98 MAPK1 (0.40) MAPK1CA1CA2KIF11SMN1; SMN2
Hydrochloric Acid SCHEMBL1304617 0.98 MAPK1 (0.40) MAPK1CA1CA2KIF11SMN1; SMN2
SCHEMBL3080102 0.83 MAPK1 (0.41) MAPK1CA1CA2GRNSORT1
SCHEMBL522783 0.83 MAPK1 (0.41) MAPK1CA1CA2GRNSORT1
SCHEMBL522812 0.83 MAPK1 (0.41) MAPK1CA1CA2GRNSORT1
Hydrochloric Acid SCHEMBL318950 0.82 MAPK1 (0.40) MAPK1CA1CA2HRH2HRH1
Hydrochloric Acid SCHEMBL522782 0.82 MAPK1 (0.40) MAPK1CA1CA2HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109928971-B Aryl substituted aminotetrahydropyrans and uses thereof 广东东阳光药业股份有限公司 2024-01-16 CN disclosed
EP-2669266-B1 Improved Method for Manufacturing Dipeptidyl Peptidase-IV Inhibitor and Intermediate DONG A ST CO LTD (KR) 2016-02-24 EP disclosed
EP-2669266-B1 Improved Method for Manufacturing Dipeptidyl Peptidase-IV Inhibitor and Intermediate DONG A ST CO LTD (KR) 2016-02-24 EP disclosed
US-9249109-B2 Method for preparing dipeptidyl peptidase-IV inhibitor and intermediate DONG-A PHARMACEUTICAL CO., LTD. (KR) 2016-02-02 US disclosed
US-9249109-B2 Method for preparing dipeptidyl peptidase-IV inhibitor and intermediate DONG-A PHARMACEUTICAL CO., LTD. (KR) 2016-02-02 US disclosed
US-20160021882-A1 APPLICATION OF BIOFILM FORMATION INHIBITING COMPOUNDS ENHANCES CONTROL OF CITRUS CANKER UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2016-01-28 US disclosed
US-20160021882-A1 APPLICATION OF BIOFILM FORMATION INHIBITING COMPOUNDS ENHANCES CONTROL OF CITRUS CANKER UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2016-01-28 US disclosed
EP-2318361-B1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
CN-102516184-B DPP-IV inhibitor including beta-amino group, preparation method thereof and pharmaceutical composition containing the same for preventing and treating a diabetes or an obesity DONG A ST CO LTD 2015-03-25 CN disclosed
US-20150025241-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2015-01-22 US disclosed
US-20110112076-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2011-05-12 US disclosed
EP-2318361-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS Novartis AG (CH) 2011-05-11 EP disclosed
EP-1966198-B1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-03-16 EP disclosed
CN-101663282-A DPP-IV inhibitor comprising beta-amino group, method for preparing the same and pharmaceutical composition for preventing and treating diabetes or obesity comprising the same DONG A PHARM CO LTD 2010-03-03 CN disclosed
WO-2010007027-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2010-01-21 WO disclosed
US-7531545-B2 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-12 US disclosed
EP-1966198-A1 2-AMINO-3,4-DIHYDRO-PYRIDOÝ3,4-D¨PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-10 EP disclosed
US-7314940-B2 For therapy and prophylaxis of neurodegenerative disorders related to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2008-01-01 US disclosed
US-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BAXTER ELLEN E 2007-11-08 US disclosed
WO-2007050612-A1 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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 (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-20150025241-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 MAPK1 4349/4885CA1 838/4885CA2 1008/4885
US-20110112076-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS MMP13, MMP11, MMP14 MAPK1 585/4885CA1 123/4885CA2 177/4885
US-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BACE2, PSEN2, BACE1 MAPK1 4255/4885CA1 3872/4885CA2 2372/4885
US-20160021882-A1 APPLICATION OF BIOFILM FORMATION INHIBITING COMPOUNDS ENHANCES CONTROL OF CITRUS CANKER XDH, MYB, DDC MAPK1 1232/4885CA1 4039/4885CA2 3012/4885

“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.