SCHEMBL7109563

SCHEMBL7109563

CC(C)(C)OC(=O)N[C@H](C=O)Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.48
ATM Q13315 1/20 0.44
PTPRA P18433 1/20 0.43
HDAC6 Q9UBN7 4/20 0.41
HDAC1 Q13547 2/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL28916941 0.86 ALDH1A1 (0.43) CTSKATMPTPRAHDAC6CTSL
SCHEMBL30850109 0.83 POLB (0.46) CTSKATMPTPRAHDAC6HDAC1
SCHEMBL13349692 0.81 PTPRA (0.42) CTSKPTPRAHDAC6HDAC1CTSL
SCHEMBL7862733 0.81 PTPRA (0.49) ATMPTPRAHDAC6HDAC1CYP1A2
SCHEMBL27264324 0.81 PTPRA (0.49) ATMPTPRAHDAC6HDAC1CYP1A2
SCHEMBL7863671 0.81 PTPRA (0.49) ATMPTPRAHDAC6HDAC1CYP1A2
SCHEMBL215178 0.81 ACE (0.56) CTSKPTPRAHDAC6HDAC1CTSL
SCHEMBL215179 0.81 ACE (0.56) CTSKPTPRAHDAC6HDAC1CTSL
SCHEMBL268002 0.81 ACE (0.56) CTSKPTPRAHDAC6HDAC1CTSL
SCHEMBL22559221 0.81 ATM (0.48) CTSKATMPTPRAHDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 US disclosed
EP-1347990-A2 PEPTIDE MIT INHIBIERENDER AKTIVITÄT ZUR PRODUKTION VON STICKSTOFFMONOXID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-01 EP disclosed
WO-2002055541-A2 PEPTIDES HAVING INHIBITING ACTIVITY ON THE PRODUCTION OF NITRIC OXIDE FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-18 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-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 CTSK 1858/4885ATM 1918/4885PTPRA 3318/4885

“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.