SCHEMBL3743161

SCHEMBL3743161

O=CC1CC(NC(=O)O)CC[C@@H]1N1CCC(NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
PREP P48147 2/20 0.44
TSHR P16473 1/20 0.43
CASP1 P29466 2/20 0.43
CTSK P43235 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TLR4 O00206 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
DPP4 P27487 1/20 0.41
KCNH2 Q12809 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CASP3 P42574 1/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL3743156 1.00 ALDH1A1 (0.45) ALDH1A1GAAPREPTSHRCASP1
SCHEMBL3731016 0.87 ALDH1A1 (0.47) ALDH1A1GAAPREPTSHRCTSK
SCHEMBL3249769 0.87 ALDH1A1 (0.49) ALDH1A1GAAPREPTSHRCASP1
SCHEMBL3731023 0.87 ALDH1A1 (0.47) ALDH1A1GAAPREPTSHRCTSK
SCHEMBL3249760 0.87 ALDH1A1 (0.49) ALDH1A1GAAPREPTSHRCASP1
SCHEMBL3745098 0.86 ALDH1A1 (0.46) ALDH1A1GAAPREPTSHRCASP1
SCHEMBL3745092 0.86 ALDH1A1 (0.46) ALDH1A1GAAPREPTSHRCASP1
SCHEMBL2785651 0.84 CCR2 (0.49) ALDH1A1GAAPREPTSHRCTSK
SCHEMBL2785645 0.84 CCR2 (0.49) ALDH1A1GAAPREPTSHRCTSK
SCHEMBL3739162 0.83 CCR2 (0.45) ALDH1A1GAAPREPTSHRCTSK

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 ALDH1A1 1402/4885GAA 4545/4885PREP 2874/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 ALDH1A1 1402/4885GAA 4545/4885PREP 2874/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ALDH1A1 1402/4885GAA 4545/4885PREP 2874/4885

“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.