SCHEMBL85950

SCHEMBL85950

COC(=O)[C@@H](C)CNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 1/20 0.42
SYK P43405 1/20 0.42
SERPINE1 P05121 1/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CA9 Q16790 2/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP2D6 P10635 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38

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
SCHEMBL1262055 1.00 CA12 (0.46) CA12CA14MEN1GAAKMT2A
SCHEMBL1262051 1.00 CA12 (0.46) CA12CA14MEN1GAAKMT2A
SCHEMBL29689259 1.00 CA12 (0.46) CA12CA14MEN1GAAKMT2A
SCHEMBL23518432 0.89 CA12 (0.41) CA12CA14MEN1GAAKMT2A
SCHEMBL5018793 0.86 CA12 (0.42) CA12CA14MEN1GAAKMT2A
SCHEMBL6709616 0.86 CA12 (0.44) CA12CA14MEN1GAAKMT2A
SCHEMBL8465153 0.86 CYP1A2 (0.44) CA12CA14MEN1GAAKMT2A
SCHEMBL6224692 0.86 CYP1A2 (0.44) CA12CA14MEN1GAAKMT2A
SCHEMBL28220300 0.86 CYP1A2 (0.44) CA12CA14MEN1GAAKMT2A
SCHEMBL18251800 0.85 MEN1 (0.46) CA12CA14MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045206-B2 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2023-02-15 EP disclosed
EP-3372281-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2021-07-07 EP disclosed
US-10927129-B2 N-[(2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3] oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide having HIV integrase inhibitory activity SHINOGI & CO., LTD. (JP) 2021-02-23 US disclosed
US-20200339598-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
US-20190284208-A1 N-[(2,4-DIFLUOROPHENYL)METHYL]-6-HYDROXY-3-METHYL-5,7-DIOXO-2,3,5,7,11,11a-HEXAHYDRO[1,3]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINE-8-CARBOXAMIDE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2019-09-19 US disclosed
EP-3284520-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2019-06-05 EP disclosed
US-20190152990-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2019-05-23 US disclosed
EP-3045206-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2018-03-28 EP disclosed
EP-3284520-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV Healthcare Company (US) 2018-02-21 EP disclosed
EP-3284519-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV Healthcare Company (US) 2018-02-21 EP disclosed
US-8129385-B2 Substituted 5-hydroxy-3,4,6,9,9a, 10-hexanhydro-2h-1-oxa04a,8a-diaza-anthracene-6,10-dioness SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-8129385-B2 Substituted 5-hydroxy-3,4,6,9,9a, 10-hexanhydro-2h-1-oxa04a,8a-diaza-anthracene-6,10-dioness SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-7879848-B2 good inhibition activity versus Dipeptidyl Peptidase-IV (DPP-IV); Diabetes mellitus, obesity; 3-[2S-amino-4-oxo-4-(3-trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-butyl]-oxazolidin-2-one; compounds having an optionally substituted lactam ring structure LG LIFE SCIENCES, LTD. (KR) 2011-02-01 US disclosed
EP-1863812-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD (KR) 2010-07-14 EP disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 US disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 US disclosed
EP-1863812-A4 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD (KR) 2009-06-24 EP disclosed
US-20080188471-A1 Dipeptidyl Peptidase-IV Inhibiting Compounds, Method Of Preparing The Same, And Pharmaceutical Compositions Containing The Same As An Active Agent LG LIFE SCIENCES, LTD. (KR) 2008-08-07 US disclosed
EP-1863812-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2007-12-12 EP disclosed
WO-2006104356-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES, LTD. (KR) 2006-10-05 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 (6 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-10927129-B2 N-[(2,4-difluorophenyl)methyl]-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3] oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide having HIV integrase inhibitory activity DUT, DPYD, IMPDH1 CA12 4523/4885CA14 4749/4885MEN1 4785/4885
US-20080188471-A1 Dipeptidyl Peptidase-IV Inhibiting Compounds, Method Of Preparing The Same, And Pharmaceutical Compositions Containing The Same As An Active Agent DPP4, DPP7, DPP8 CA12 1579/4885CA14 521/4885MEN1 2349/4885
US-20200339598-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 CA12 4044/4885CA14 2627/4885MEN1 4510/4885
US-20190152990-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NR4A3, NCOA4 CA12 3829/4885CA14 2244/4885MEN1 4459/4885
US-20190284208-A1 N-[(2,4-DIFLUOROPHENYL)METHYL]-6-HYDROXY-3-METHYL-5,7-DIOXO-2,3,5,7,11,11a-HEXAHYDRO[1,3]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINE-8-CARBOXAMIDE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NR4A2, NR4A3 CA12 4789/4885CA14 4398/4885MEN1 4800/4885
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity NR4A1, NCOA4, NR4A2 CA12 4108/4885CA14 2580/4885MEN1 4531/4885

“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.