SCHEMBL4416689

SCHEMBL4416689

CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 4/20 0.64
KLK7 P49862 4/20 0.56
CTSK P43235 4/20 0.48
CTSS P25774 1/20 0.48
CA1 P00915 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CASP3 P42574 2/20 0.45
CA2 P00918 1/20 0.45
BACE1 P56817 3/20 0.45

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
SCHEMBL4416692 1.00 KLK5 (0.64) KLK5KLK7CTSKCTSSCA1
SCHEMBL4416687 1.00 KLK5 (0.64) KLK5KLK7CTSKCTSSCA1
SCHEMBL6619716 0.83 KLK7 (0.58) KLK5KLK7CTSKCTSSCA1
SCHEMBL6619713 0.83 KLK7 (0.58) KLK5KLK7CTSKCTSSCA1
SCHEMBL11602934 0.82 KLK7 (0.56) KLK5KLK7CTSKCTSSCTSL
SCHEMBL4033681 0.82 CPB1 (0.54) CTSKCTSSL3MBTL1CTSLCTSB
SCHEMBL19716705 0.81 KLK5 (0.57) KLK5KLK7CTSKCTSSL3MBTL1
SCHEMBL16011173 0.81 KLK5 (0.57) KLK5KLK7CTSKCTSSL3MBTL1
SCHEMBL17464243 0.81 KLK7 (0.65) KLK5KLK7CTSKCTSSCA1
SCHEMBL12873043 0.81 KLK7 (0.65) KLK5KLK7CTSKCTSSCA1

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 KLK5 2829/4885KLK7 2647/4885CTSK 1557/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 KLK5 2823/4885KLK7 2664/4885CTSK 1779/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 KLK5 2829/4885KLK7 2647/4885CTSK 1557/4885

“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.