SCHEMBL15501136

SCHEMBL15501136

CC(C)(C)OC(=O)NCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CTSS P25774 7/20 0.47
▸ CTSK P43235 7/20 0.47
▸ CAPN1 P07384 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ ACE P12821 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PPARA Q07869 5/20 0.42
▸ PPARG P37231 4/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ SUCNR1 Q9BXA5 2/20 0.41
▸ PPARD Q03181 2/20 0.41

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
SCHEMBL13170309 0.89 CAPN1 (0.47) MEN1GAAKMT2ACTSSCTSK
SCHEMBL25715929 0.88 CAPN1 (0.53) MEN1GAAKMT2ACTSSCTSK
SCHEMBL13170285 0.88 CAPN1 (0.53) MEN1GAAKMT2ACTSSCTSK
SCHEMBL18975551 0.88 CAPN1 (0.53) MEN1GAAKMT2ACTSSCTSK
SCHEMBL15512548 0.85 MEN1 (0.54) MEN1GAAKMT2ACTSSCTSK
SCHEMBL26620271 0.84 MEN1 (0.51) MEN1GAAKMT2ACTSSCTSK
SCHEMBL26620267 0.84 MEN1 (0.51) MEN1GAAKMT2ACTSSCTSK
SCHEMBL1003435 0.83 MEN1 (0.61) MEN1GAAKMT2ACTSSCTSK
SCHEMBL2581187 0.83 PPARA (0.48) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL18281226 0.83 MEN1 (0.61) MEN1GAAKMT2ACTSSCTSK

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 7 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
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 MEN1 2264/4885GAA 1797/4885KMT2A 2842/4885
US-20110294718-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF DPP4, DPP3, DPP7 MEN1 2035/4885GAA 1868/4885KMT2A 3076/4885
US-20150133364-A1 DIPEPTOID PRODRUGS AND THEIR USE DPP4, DPP3, DPP7 MEN1 2264/4885GAA 1797/4885KMT2A 2842/4885

“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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