SCHEMBL3739167

SCHEMBL3739167

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.45
CCR5 P51681 1/20 0.45
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CTSK P43235 1/20 0.42
PREP P48147 2/20 0.42
TSHR P16473 1/20 0.41
CASP3 P42574 1/20 0.41
KCNH2 Q12809 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
SCHEMBL3739162 1.00 CCR2 (0.45) CCR2CCR5ALDH1A1GAACTSK
SCHEMBL3737309 0.91 CCR2 (0.47) CCR2ALDH1A1GAACTSKPREP
SCHEMBL3737311 0.91 CCR2 (0.47) CCR2ALDH1A1GAACTSKPREP
SCHEMBL3745098 0.89 ALDH1A1 (0.46) ALDH1A1GAACTSKPREPTSHR
SCHEMBL3745092 0.89 ALDH1A1 (0.46) ALDH1A1GAACTSKPREPTSHR
SCHEMBL3731016 0.86 ALDH1A1 (0.47) ALDH1A1GAACTSKPREPTSHR
SCHEMBL3731023 0.86 ALDH1A1 (0.47) ALDH1A1GAACTSKPREPTSHR
SCHEMBL2785651 0.85 CCR2 (0.49) CCR2CCR5ALDH1A1GAACTSK
SCHEMBL2785645 0.85 CCR2 (0.49) CCR2CCR5ALDH1A1GAACTSK
SCHEMBL3736568 0.85 MEN1 (0.46) ALDH1A1GAACTSKPREPTSHR

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 CCR2 5/4885CCR5 8/4885ALDH1A1 1402/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CCR2 5/4885CCR5 8/4885ALDH1A1 1402/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CCR2 5/4885CCR5 8/4885ALDH1A1 1402/4885

“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.