SCHEMBL4417131

SCHEMBL4417131

O=C(N[C@H]1CCN([C@@H]2CCCC[C@@H]2NC(=O)OCc2ccccc2)C1=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.53
EPHX1 P07099 1/20 0.48
CASP1 P29466 1/20 0.48
PREP P48147 2/20 0.48
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSK P43235 2/20 0.47
CTSS P25774 1/20 0.47
CPB1 P15086 1/20 0.47

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
SCHEMBL14313644 0.94 CASP3 (0.50) CASP3EPHX1CASP1PREPALDH1A1
SCHEMBL14313605 0.88 CASP3 (0.50) CASP3EPHX1CASP1PREPALDH1A1
SCHEMBL3250376 0.83 CASP3 (0.47) CASP3CASP1PREPALDH1A1GAA
SCHEMBL3249696 0.82 PREP (0.45) CASP3CASP1PREPALDH1A1GAA
SCHEMBL3249694 0.82 PREP (0.45) CASP3CASP1PREPALDH1A1GAA
SCHEMBL3945925 0.82 PREP (0.45) CASP3CASP1PREPALDH1A1GAA
SCHEMBL28375938 0.82 CTSB (0.48) CASP3EPHX1ALDH1A1GAACTSL
SCHEMBL6261850 0.81 CCR2 (0.51) CASP3CASP1PREPALDH1A1GAA
SCHEMBL13600779 0.81 CASP3 (0.45) CASP3CASP1PREPALDH1A1GAA
SCHEMBL12156509 0.81 CASP3 (0.45) CASP3CASP1PREPALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP disclosed
EP-2098508-A1 Cyclic derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2009-09-09 EP disclosed
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-7338947-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2008-03-04 US disclosed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 US disclosed
EP-1606255-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-02-07 EP disclosed
EP-1606255-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2005-12-21 EP disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 US disclosed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 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-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CASP3 4151/4885EPHX1 1130/4885CASP1 1449/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CASP3 4190/4885EPHX1 1086/4885CASP1 1136/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CASP3 4151/4885EPHX1 1130/4885CASP1 1449/4885

“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.