SCHEMBL6074776

SCHEMBL6074776

COc1ccc(OCC(=O)CSC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
CNR2 P34972 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 2/20 0.44
PTGS2 P35354 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL6074949 0.93 SLC6A4 (0.54) L3MBTL1SLC6A4SLC6A3MAPTLMNA
SCHEMBL6075152 0.86 SLC6A3 (0.50) L3MBTL1SLC6A4SLC6A3MAPTLMNA
SCHEMBL6075602 0.78 SLC6A3 (0.56) L3MBTL1SLC6A4SLC6A3HPGD
SCHEMBL6075236 0.76 SLC6A3 (0.61) L3MBTL1SLC6A4SLC6A3
SCHEMBL6075104 0.75 MEN1 (0.50) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6074941 0.75 SLC6A3 (0.64) SLC6A4SLC6A3
SCHEMBL9016821 0.75 FFAR1 (0.47) L3MBTL1SLC6A4SLC6A3MEN1KMT2A
SCHEMBL6074757 0.75 MAPT (0.50) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL11440981 0.73 MAPT (0.60) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6075323 0.73 SLC6A4 (0.44) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067538-B2 MCP-1 receptor antagonists and methods of use thereof WARNER-LAMBERT COMPANY, LLC (US) 2006-06-27 US disclosed
US-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof BRATTON LARRY D (US) 2005-08-04 US disclosed
EP-1539685-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF Warner-Lambert Company LLC (US) 2005-06-15 EP disclosed
WO-2004014847-A1 MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 (1 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-20050171163-A1 MCP-1 receptor antagonists and methods of use thereof CCR2, CCR1, CCL2 L3MBTL1 3207/4885ALDH1A1 565/4885SLC6A4 1229/4885

“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.