SCHEMBL3736908

SCHEMBL3736908

CC(C)S(=O)(=O)C[C@@H]1C[C@H](NC(=O)O)CC[C@@H]1N

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.40
CCR2 P41597 5/20 0.37
CCR5 P51681 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5767379 1.00 SMYD3 (0.40) SMYD3CCR2CCR5L3MBTL1
SCHEMBL3736911 1.00 SMYD3 (0.40) SMYD3CCR2CCR5L3MBTL1
SCHEMBL19715160 0.83 CCR2 (0.36) SMYD3CCR2L3MBTL1
SCHEMBL3741795 0.82 CCR2 (0.38) SMYD3CCR2CCR5
SCHEMBL3741790 0.82 CCR2 (0.38) SMYD3CCR2CCR5
SCHEMBL5029103 0.80 SMYD3 (0.32) SMYD3
SCHEMBL5029107 0.80 SMYD3 (0.32) SMYD3
SCHEMBL5029532 0.79 CCR2 (0.34) SMYD3CCR2
SCHEMBL3738908 0.77 CCR2 (0.42) SMYD3CCR2CCR5
SCHEMBL3738913 0.77 CCR2 (0.42) SMYD3CCR2CCR5

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 SMYD3 3149/4885CCR2 5/4885CCR5 8/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 SMYD3 3149/4885CCR2 5/4885CCR5 8/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 SMYD3 3149/4885CCR2 5/4885CCR5 8/4885

“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.