SCHEMBL2178305

SCHEMBL2178305

Cc1c(O)cccc1Cn1ccc(OCCc2cccs2)cc1=O

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.42
MAPK14 Q16539 1/20 0.37
MCHR1 Q99705 2/20 0.36
HTR2B P41595 1/20 0.36
HPGD P15428 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
TTK P33981 1/20 0.35
PPARG P37231 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
Cg-400549 SCHEMBL29385717 0.88 CCR4 (0.42) CCR4MAPK14MCHR1HPGDTTK
Cg-400549 SCHEMBL2177308 0.88 CCR4 (0.42) CCR4MAPK14MCHR1HPGDTTK
SCHEMBL2175710 0.85 MAPT (0.40) CCR4HSP90AA1PPARG
SCHEMBL2178011 0.84 CCR4 (0.38) CCR4MAPK14MCHR1HPGDPPARG
SCHEMBL2177317 0.84 DRD2 (0.44) CCR4MCHR1TTKPPARG
SCHEMBL2178339 0.84 CCR4 (0.38) CCR4MAPK14MCHR1PPARG
SCHEMBL2177786 0.83 CCR4 (0.37) CCR4MCHR1PPARG
SCHEMBL2174575 0.82 MTNR1A (0.38) CCR4PPARG
SCHEMBL2176972 0.82 CCR4 (0.38) CCR4MAPK14MCHR1HPGDPPARG
SCHEMBL2176613 0.81 CCR4 (0.36) CCR4MCHR1PPARGTRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948601-B1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS INC (KR) 2016-04-13 EP claimed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US claimed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO claimed
EP-1948601-B1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS INC (KR) 2016-04-13 EP disclosed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT CCR4 4278/4885MAPK14 1791/4885MCHR1 4586/4885

“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.