SCHEMBL3746871

SCHEMBL3746871

CC(C)(C)SC[C@@H]1CC(NC(=O)O)CC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.47
TLR4 O00206 1/20 0.43
EPHX1 P07099 1/20 0.42
TACR1 P25103 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
CCR2 P41597 2/20 0.41
CCR3 P51677 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
SCHEMBL3746863 1.00 CPB1 (0.51) CPB1ALDH1A1GAATSHRTLR4
SCHEMBL5227953 0.85 ALDH1A1 (0.55) CPB1ALDH1A1GAATSHRTLR4
SCHEMBL3738774 0.85 ALDH1A1 (0.55) CPB1ALDH1A1GAATSHRTLR4
SCHEMBL3738767 0.85 ALDH1A1 (0.55) CPB1ALDH1A1GAATSHRTLR4
SCHEMBL5769696 0.84 CPB1 (0.50) CPB1ALDH1A1GAATSHRTLR4
SCHEMBL3731309 0.84 CPB1 (0.50) CPB1ALDH1A1GAATSHRTLR4
SCHEMBL3731312 0.84 CPB1 (0.50) CPB1ALDH1A1GAATSHRTLR4
SCHEMBL5033689 0.84 CPB1 (0.56) CPB1ALDH1A1GAATSHRTLR4
SCHEMBL5033687 0.84 CPB1 (0.56) CPB1ALDH1A1GAATSHRTLR4
SCHEMBL5769816 0.83 CPB1 (0.53) CPB1ALDH1A1GAATSHRTLR4

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 865/4885ALDH1A1 1402/4885GAA 4545/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CPB1 865/4885ALDH1A1 1402/4885GAA 4545/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CPB1 865/4885ALDH1A1 1402/4885GAA 4545/4885

“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.