SCHEMBL2531616

SCHEMBL2531616

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(OCc2ccccc2)c1)[C@H]1CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 6/20 0.47
KLK5 Q9Y337 5/20 0.47
PTPN1 P18031 1/20 0.45
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
PTGES O14684 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
BCL2 P10415 1/20 0.43
GPR132 Q9UNW8 1/20 0.43
YAP1 P46937 1/20 0.43
ADAM17 P78536 1/20 0.43
PPARA Q07869 1/20 0.42

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
SCHEMBL2531617 1.00 KLK7 (0.47) KLK7KLK5PTPN1MMEACE
SCHEMBL14003963 0.90 MME (0.42) KLK7KLK5PTPN1MMEACE
SCHEMBL8230963 0.90 BCL2 (0.53) KLK7KLK5PTPN1ACEBCL2
SCHEMBL471109 0.90 BCL2 (0.53) KLK7KLK5PTPN1ACEBCL2
SCHEMBL6158180 0.90 BCL2 (0.53) KLK7KLK5PTPN1ACEBCL2
SCHEMBL3291046 0.90 BCL2 (0.53) KLK7KLK5PTPN1ACEBCL2
SCHEMBL13537887 0.90 BCL2 (0.53) KLK7KLK5PTPN1ACEBCL2
SCHEMBL13617902 0.90 BCL2 (0.53) KLK7KLK5PTPN1ACEBCL2
SCHEMBL13315963 0.89 KLK7 (0.44) KLK7KLK5PTPN1CTSSCTSK
SCHEMBL6700315 0.89 KLK7 (0.44) KLK7KLK5PTPN1CTSSCTSK

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
EP-4076659-A1 MACROCYCLIC AMIDES ACTING AS PLASMEPSIN INHBITORS FOR THE TREATMENT OF MALARIA Latvian Institute Of Organic Synthesis (LV) 2022-10-26 EP disclosed
WO-2021123883-A1 MACROCYCLIC AMIDES ACTING AS PLASMEPSIN INHBITORS FOR THE TREATMENT OF MALARIA LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2021-06-24 WO disclosed
US-8039455-B2 Macrocyclic compounds useful as BACE inhibitors NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-1968954-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (1 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-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS SLC10A2, SLC10A1, ASAH2 KLK7 4203/4885KLK5 2649/4885PTPN1 4315/4885

“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.