SCHEMBL6074757

SCHEMBL6074757

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP1A2 P05177 1/20 0.45
GAA P10253 3/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 2/20 0.42
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
CACNA1G O43497 1/20 0.41
KCNH2 Q12809 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
SCHEMBL6075368 0.93 NPC1 (0.55) NPC1RAB9ACYP1A2ALDH1A1KMT2A
SCHEMBL6075295 0.86 NPC1 (0.54) MAPTNPC1RAB9ACYP1A2KDM4E
SCHEMBL6074764 0.83 SLC6A4 (0.45) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL6074776 0.75 L3MBTL1 (0.51) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL24440097 0.73 NPC1 (0.52) MAPTNPC1RAB9ACYP1A2KDM4E
SCHEMBL6075263 0.73 SLC6A4 (0.50) CYP1A2MAPK1
SCHEMBL23414267 0.72 NPC1 (0.58) NPC1RAB9ACYP1A2ALDH1A1KMT2A
SCHEMBL6075525 0.72 ALDH1A1 (0.40) NPC1RAB9ACYP1A2ALDH1A1KMT2A
SCHEMBL6074761 0.71 MAPT (0.54) MAPTCYP1A2GAAKDM4EPOLB
SCHEMBL3630009 0.71 AR (0.59) MAPTGAAKDM4EPOLBALDH1A1

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 MAPT 3892/4885NPC1 1096/4885RAB9A 4651/4885

“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.