SCHEMBL5477122

SCHEMBL5477122

CCCCCCCCc1ccc(CCC(C=O)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.56
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
CTSH P09668 1/20 0.46

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
SCHEMBL31341263 0.84 CTSK (0.51) CTSKCTSLCTSB
SCHEMBL1760151 0.84 CTSK (0.52) CTSKCTSLCTSB
SCHEMBL26222372 0.84 CTSK (0.63) CTSKCTSLCTSB
SCHEMBL5458401 0.84 CTSK (0.47) CTSK
SCHEMBL5458404 0.84 CTSK (0.47) CTSK
SCHEMBL5464125 0.84 CTSK (0.47) CTSK
SCHEMBL7723330 0.84 CTSK (0.61) CTSKCTSLCTSBCTSH
SCHEMBL7446852 0.84 CTSK (0.61) CTSKCTSLCTSBCTSH
SCHEMBL3837919 0.84 CTSK (0.61) CTSKCTSLCTSBCTSH
SCHEMBL6237749 0.82 CTSK (0.47) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070224263-A1 Aminoalkylphosphonates and related compounds as Edg receptor agonists DOHERTY GEORGE A 2007-09-27 US disclosed
US-20060089334-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists MERCK & CO., INC. 2006-04-27 US disclosed
EP-1482896-A4 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2005-11-23 EP disclosed
US-20050107345-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists DOHERTY GEORGE A (US) 2005-05-19 US disclosed
EP-1482895-A4 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2005-04-27 EP disclosed
EP-1482895-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-12-08 EP disclosed
EP-1482896-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-12-08 EP disclosed
WO-2003074008-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-09-12 WO disclosed
WO-2003073986-A2 AMINOALKYLPHOSPHONATES AND RELATED COMPOUNDS AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-09-12 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 (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-20060089334-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists ADGRF1, EDNRA, ADGRE5 CTSK 2584/4885CTSL 3064/4885CTSB 2463/4885
US-20050107345-A1 Aminoalkylphosphonates and related compounds as edg receptor agonists EDNRA, ADGRE5, ADGRF1 CTSK 2625/4885CTSL 3107/4885CTSB 2452/4885
US-20070224263-A1 Aminoalkylphosphonates and related compounds as Edg receptor agonists ADGRE5, EDNRA, ADGRF1 CTSK 2374/4885CTSL 2807/4885CTSB 2090/4885

“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.