SCHEMBL3576368

SCHEMBL3576368

CCOC(=O)Cn1ccn(CC(=O)N2CCC(c3csc(-c4cc(C(C)(C)C)c(OC)c(C(C)(C)C)c4)n3)CC2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
PRKCA P17252 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CPT1A P50416 4/20 0.32
CPT2 P23786 3/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
FPR2 P25090 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CPT1B Q92523 2/20 0.31
TRPC3 Q13507 1/20 0.31
TRPC7 Q9HCX4 1/20 0.31
FAAH O00519 1/20 0.31
TP53 P04637 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 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
SCHEMBL3592264 0.92 CPT1A (0.33) KDM4EALDH1A1HPGDNPSR1CPT1A
SCHEMBL3593480 0.91 CPT1A (0.35) KDM4EALDH1A1HPGDNPSR1CPT1A
Potassium Ion SCHEMBL3579672 0.89 CPT1A (0.33) KDM4EALDH1A1HPGDNPSR1CPT1A
SCHEMBL3581098 0.89 CPT1A (0.33) KDM4EALDH1A1HPGDNPSR1CPT1A
SCHEMBL13031198 0.85 KDM4E (0.34) KDM4EPRKCAGSK3BALDH1A1RXFP1
SCHEMBL3585326 0.85 KDM4E (0.32) KDM4ECPT1ACPT2FPR2CPT1B
SCHEMBL3576129 0.85 KDM4E (0.34) KDM4EALDH1A1HPGDCPT1ACPT2
SCHEMBL3581779 0.84 TLR9 (0.34) CPT1ACPT2FPR2CPT1BGRIN2B
SCHEMBL3595199 0.84 GRIN1 (0.34) KDM4EALDH1A1CPT1ACPT2RXFP1
SCHEMBL3576341 0.83 PDE4B (0.34) KDM4EALDH1A1HPGDNPSR1CPT1A

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 1 patent. 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 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 KDM4E 3447/4885PRKCA 2228/4885GSK3B 956/4885

“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.