SCHEMBL3576138

SCHEMBL3576138

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4cc(C)nc4S(C)(=O)=O)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.33
CPT1A P50416 4/20 0.33
CPT2 P23786 2/20 0.33
CPT1B Q92523 1/20 0.33
GPR119 Q8TDV5 2/20 0.31
GRIN2B Q13224 3/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
LMNA P02545 1/20 0.31
PTGS2 P35354 2/20 0.30
KDM4E B2RXH2 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL3581627 0.90 IRAK4 (0.33) IRAK4CPT1ACPT2CPT1BGRIN2B
SCHEMBL3583149 0.88 IRAK4 (0.32) IRAK4CPT1ACPT2CPT1BGRIN2B
SCHEMBL13031191 0.87 GRIN2B (0.33) GPR119GRIN2BLMNAPTGS2PTGS1
SCHEMBL3584110 0.83 IRAK4 (0.34) IRAK4CPT1ACPT2CPT1BGRIN2B
SCHEMBL3590320 0.83 IRAK4 (0.33) IRAK4CPT1ACPT2CPT1BGRIN2B
SCHEMBL3589601 0.83 CPT1A (0.33) IRAK4CPT1ACPT2CPT1BGPR119
SCHEMBL3591790 0.83 PSEN1 (0.36) IRAK4CPT1ACPT2CPT1BGRIN2B
SCHEMBL3581779 0.83 TLR9 (0.34) IRAK4CPT1ACPT2CPT1BGRIN2B
SCHEMBL3585326 0.82 KDM4E (0.32) IRAK4CPT1ACPT2CPT1BGRIN2B
SCHEMBL3588152 0.82 CXCR3 (0.38) IRAK4CPT1ACPT2CPT1BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 IRAK4 3194/4885CPT1A 1529/4885CPT2 3009/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 IRAK4 367/4885CPT1A 1947/4885CPT2 2552/4885

“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.