SCHEMBL15512396

SCHEMBL15512396

CC(C)(C)OC(=O)NCCN[C@@H](CC(N)=O)C(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA1 P00915 8/20 0.37
▸ CA2 P00918 8/20 0.37
▸ CA12 O43570 5/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ MALT1 Q9UDY8 1/20 0.36
▸ BACE1 P56817 3/20 0.35
▸ IDO1 P14902 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL15512309 0.87 MAOA (0.43) MAOAMAOBMEN1GAAKMT2A
SCHEMBL15512334 0.87 MAOA (0.43) MAOAMAOBMEN1GAAKMT2A
SCHEMBL2581191 0.80 MAOA (0.32) MAOAMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL9615714 0.75 CYP1A2 (0.47) CA1CA2BACE1CYP1A2CYP2C9
SCHEMBL19190339 0.75 MEN1 (0.51) MAOAMAOBMEN1GAAKMT2A
SCHEMBL14027740 0.73 MAOA (0.50) MAOAMAOBMEN1GAAKMT2A
SCHEMBL7097602 0.72 — —
SCHEMBL2153082 0.72 CA12 (0.50) MAOAMAOBMEN1GAAKMT2A
SCHEMBL14206399 0.72 CA12 (0.50) MAOAMAOBMEN1GAAKMT2A
SCHEMBL3341020 0.72 TDP1 (0.67) MAOAMAOBMEN1GAAKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133364-A1 DIPEPTOID PRODRUGS AND THEIR USE BAYER IP GMBH (DE) 2015-05-14 — — US disclosed
US-8957017-B2 Dipeptoid prodrugs and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-02-17 — — US disclosed
US-20140206879-A1 DIPEPTOID PRODRUGS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-24 — — US disclosed
US-8703696-B2 Dipeptoid prodrugs and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-22 — — US disclosed
EP-2185552-B1 DIPEPTOID PRODRUGS AND THE USE THEREOF BAYER IP GMBH (DE) 2014-03-12 — — EP disclosed
US-20110294718-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2011-12-01 — — 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-20140206879-A1 DIPEPTOID PRODRUGS AND THEIR USE DPP4, DPP3, DPP7 MAOA 2413/4885MAOB 1835/4885MEN1 2264/4885
US-20110294718-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF DPP4, DPP3, DPP7 MAOA 2379/4885MAOB 1669/4885MEN1 2035/4885
US-20150133364-A1 DIPEPTOID PRODRUGS AND THEIR USE DPP4, DPP3, DPP7 MAOA 2413/4885MAOB 1835/4885MEN1 2264/4885

“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.

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