SCHEMBL3589661

SCHEMBL3589661

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)CN4CCOC4=O)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
TLR9 Q9NR96 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
EPHX2 P34913 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CPT1A P50416 3/20 0.32
CPT2 P23786 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
KCNH2 Q12809 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3579069 0.88 GABRA1 (0.34) TLR8TLR7TLR9ALDH1A1CPT1A
SCHEMBL3580754 0.86 GABRA1 (0.34) ALDH1A1CPT1ACPT2GABRA1GABRG2
SCHEMBL13031385 0.84 TLR9 (0.39) TLR8TLR7TLR9NPC1RAB9A
SCHEMBL3593480 0.82 CPT1A (0.35) ALDH1A1CPT1ACPT2GABRA1GABRG2
SCHEMBL3592264 0.82 CPT1A (0.33) ALDH1A1CPT1ACPT2GABRA1GABRG2
SCHEMBL3581098 0.82 CPT1A (0.33) NPC1RAB9AALDH1A1CPT1ACPT2
SCHEMBL3588041 0.82 USP30 (0.38) CPT1ACPT2
SCHEMBL3588834 0.81 GRIN1 (0.35) ALDH1A1CPT1ACPT2GABRA1GABRG2
SCHEMBL3576341 0.81 PDE4B (0.34) ALDH1A1CPT1ACPT2GABRA1GABRG2
SCHEMBL3583234 0.81 CPT1A (0.35) CPT1ACPT2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US claimed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP claimed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 TLR8 266/4885TLR7 52/4885TLR9 32/4885

“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.