SCHEMBL3754888

SCHEMBL3754888

CC(C)(C)OC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N1Cc2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
SCN9A Q15858 4/20 0.38
CCKAR P32238 3/20 0.38
CCKBR P32239 3/20 0.38
PPARA Q07869 2/20 0.38
THRB P10828 1/20 0.37
PPARG P37231 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKT1 P31749 1/20 0.36
CASP1 P29466 1/20 0.36
CTSS P25774 3/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL15645213 0.82 CTSS (0.52) PARP1SCN9ACCKARCCKBRAKT1
SCHEMBL1135845 0.81 CTSK (0.46) SCN9AKDM4EHTTSMN1; SMN2CTSS
SCHEMBL1430673 0.81 CTSK (0.46) SCN9AKDM4EHTTSMN1; SMN2CTSS
SCHEMBL1587151 0.79 KDM4E (0.39) PARP1SCN9ACCKARCCKBRKDM4E
SCHEMBL15448116 0.78 PPARA (0.57) PPARAPPARGCTSSCTSLCTSB
SCHEMBL20974785 0.78 PPARA (0.57) PPARAPPARGCTSSCTSLCTSB
SCHEMBL17291652 0.78 PPARA (0.57) PPARAPPARGCTSSCTSLCTSB
SCHEMBL25361007 0.77 KLK5 (0.47) PPARAPPARGCTSSCTSLCTSB
SCHEMBL3753362 0.77 KLK5 (0.47) PPARAPPARGCTSSCTSLCTSB
SCHEMBL31385404 0.77 PPARA (0.46) PPARAPPARGCTSSCTSLCTSB

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 PARP1 2657/4885SCN9A 4234/4885CCKAR 202/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 PARP1 2657/4885SCN9A 4234/4885CCKAR 202/4885

“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.