SCHEMBL3756852

SCHEMBL3756852

CC(C)(C)OC(=O)N[C@@H](CN)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
PPARA Q07869 5/20 0.43
PPARG P37231 4/20 0.42
CTSK P43235 7/20 0.41
CTSS P25774 6/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
SYK P43405 1/20 0.41
ACE P12821 1/20 0.40
PPARD Q03181 2/20 0.39
APP P05067 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
SCHEMBL30133471 0.89 ATM (0.46) ATMPPARAPPARGCTSKCTSS
SCHEMBL7842461 0.89 ATM (0.46) ATMPPARAPPARGCTSKCTSS
SCHEMBL5548155 0.89 ATM (0.46) ATMPPARAPPARGCTSKCTSS
SCHEMBL10080538 0.88 ATM (0.46) ATMPPARAPPARGCTSKCTSS
SCHEMBL31122917 0.88 ATM (0.46) ATMPPARAPPARGCTSKCTSS
SCHEMBL5220048 0.87 ATM (0.45) ATMPPARAPPARGCTSKCTSS
SCHEMBL31232348 0.87 ATM (0.45) ATMPPARAPPARGCTSKCTSS
SCHEMBL31048296 0.87 ATM (0.45) ATMPPARAPPARGCTSKCTSS
SCHEMBL19300691 0.86 ATM (0.42) ATMPPARAPPARGCTSKCTSS
SCHEMBL28411906 0.86 ATM (0.42) ATMPPARAPPARGCTSKCTSS

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
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 ATM 4030/4885PPARA 730/4885PPARG 720/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 ATM 4030/4885PPARA 730/4885PPARG 720/4885

“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.