SCHEMBL6074949

SCHEMBL6074949

O=C(COc1ccc(Cl)cc1)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 2/20 0.54
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATF4 P18848 3/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
PTGS2 P35354 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
SCHEMBL6074776 0.93 L3MBTL1 (0.51) SLC6A4SLC6A3MAPTKDM4ELMNA
SCHEMBL6075152 0.93 SLC6A3 (0.50) SLC6A4SLC6A3MAPTKDM4ELMNA
SCHEMBL6075602 0.81 SLC6A3 (0.56) SLC6A4SLC6A3L3MBTL1HPGD
SCHEMBL11440981 0.78 MAPT (0.60) MAPTKDM4ELMNAL3MBTL1ATF4
SCHEMBL6075323 0.78 SLC6A4 (0.44) SLC6A4SLC6A3
SCHEMBL6074941 0.78 SLC6A3 (0.64) SLC6A4SLC6A3
SCHEMBL6074974 0.78 SLC6A3 (0.59) SLC6A4SLC6A3
SCHEMBL6075236 0.76 SLC6A3 (0.61) SLC6A4SLC6A3L3MBTL1
SCHEMBL6074896 0.75 SLC6A3 (0.65) SLC6A4SLC6A3LMNAPOLB
SCHEMBL6076047 0.74 SLC6A4 (0.55) 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 SLC6A4 1229/4885SLC6A3 1045/4885MAPT 3892/4885

“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.