SCHEMBL3845713

SCHEMBL3845713

CC(C)(C)OC(=O)N[C@@H](Cc1cn(CCc2ccccn2)cn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.45
CPB1 P15086 1/20 0.45
ACE P12821 1/20 0.45
PTPN1 P18031 2/20 0.41
PPARA Q07869 5/20 0.41
PPARG P37231 4/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
PPARD Q03181 2/20 0.40
SCN9A Q15858 1/20 0.40
CTSS P25774 2/20 0.39
AKT1 P31749 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL13617435 0.91 HDAC6 (0.46) CPB2CPB1AKT1
SCHEMBL6324267 0.89 ACE (0.52) CPB2CPB1ACEPTPN1PPARA
SCHEMBL215179 0.84 ACE (0.56) ACEPTPN1PPARAPPARGITGB3
SCHEMBL29573143 0.84 ACE (0.56) ACEPTPN1PPARAPPARGITGB3
SCHEMBL29613833 0.84 ACE (0.56) ACEPTPN1PPARAPPARGITGB3
SCHEMBL268002 0.84 ACE (0.56) ACEPTPN1PPARAPPARGITGB3
SCHEMBL215178 0.84 ACE (0.56) ACEPTPN1PPARAPPARGITGB3
SCHEMBL6329225 0.84 CPB2 (0.64) CPB2CPB1ACEPTPN1PPARA
SCHEMBL3429311 0.83 ACE (0.56) CPB2ACEPTPN1PPARAPPARG
SCHEMBL17642069 0.83 ACE (0.56) CPB2ACEPTPN1PPARAPPARG

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
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed
US-6949577-B2 Pharmaceuticals PFIZER, INC. (US) 2005-09-27 US disclosed
US-20030236420-A1 Pharmaceuticals ALLERTON CHARLOTTE MOIRA NORFO (GB) 2003-12-25 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 (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-20030236420-A1 Pharmaceuticals BDKRB1, TFPI, SERPINE1 CPB2 167/4885CPB1 181/4885ACE 261/4885

“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.