SCHEMBL3736230

SCHEMBL3736230

COC(=O)[C@@H]1CC(=O)CC[C@@H]1N1CCC(NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.50
PREP P48147 2/20 0.44
CASP3 P42574 2/20 0.43
CTSK P43235 2/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
CASP1 P29466 1/20 0.41
GAA P10253 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3736228 1.00 CPB1 (0.50) CPB1PREPCASP3CTSKCYP2C9
SCHEMBL3736224 1.00 CPB1 (0.50) CPB1PREPCASP3CTSKCYP2C9
SCHEMBL13411397 0.93 PREP (0.43) CPB1PREPCASP3CTSKCASP1
SCHEMBL1841237 0.93 PREP (0.43) CPB1PREPCASP3CTSKCASP1
SCHEMBL3625795 0.91 PREP (0.46) PREPCASP3CTSKALDH1A1TSHR
SCHEMBL2344349 0.91 PREP (0.46) PREPCASP3CTSKALDH1A1TSHR
SCHEMBL2344340 0.91 PREP (0.46) PREPCASP3CTSKALDH1A1TSHR
SCHEMBL13446212 0.87 CASP3 (0.45) PREPCASP3CTSKALDH1A1CA1
SCHEMBL13600779 0.85 CASP3 (0.45) CPB1PREPCASP3CTSKALDH1A1
SCHEMBL12156509 0.85 CASP3 (0.45) CPB1PREPCASP3CTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 EP disclosed
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CPB1 865/4885PREP 2874/4885CASP3 4375/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CPB1 865/4885PREP 2874/4885CASP3 4375/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CPB1 865/4885PREP 2874/4885CASP3 4375/4885

“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.