SCHEMBL4500892

SCHEMBL4500892

COCn1cc(NC(=O)OC(C)(C)C)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CNR2 P34972 1/20 0.36
CYP17A1 P05093 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MAPK14 Q16539 1/20 0.35
ACSS2 Q9NR19 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PRKDC P78527 1/20 0.34
SCD O00767 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL12513701 0.82 CNR2 (0.42) P2RY14CA12CA1CA9CNR2
SCHEMBL7619637 0.81 DRD2 (0.40) P2RY14CNR2CYP17A1MAPK14PRKDC
SCHEMBL1845748 0.79 MAPK14 (0.39) P2RY14CA12CA1CA9CNR2
SCHEMBL5001090 0.75 TOP1 (0.40) CA12CA1CA9CNR2CYP17A1
SCHEMBL5000911 0.75 TOP1 (0.40) CA12CA1CA9CNR2CYP17A1
SCHEMBL15385155 0.75 TOP1 (0.40) CA12CA1CA9CNR2CYP17A1
SCHEMBL8536509 0.73 RAB9A (0.44) P2RY14ACSS2
SCHEMBL2392134 0.72 HDAC3 (0.39) CA12CA1CA9CYP17A1MAPK14
SCHEMBL14262464 0.72 CNR2 (0.40) CA12CA1CA9CNR2CYP17A1
SCHEMBL6429116 0.70 MAPK14 (0.38) CA12CA1CA9CNR2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2011-07-21 US disclosed
US-7498405-B2 Halogen-substituted thienyl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-7498405-B2 Halogen-substituted thienyl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-7498405-B2 Halogen-substituted thienyl compounds GENESOFT PHARMACEUTICALS, INC. (US) 2009-03-03 US disclosed
US-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 US disclosed
US-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 US disclosed
US-20060287247-A1 Binds nucleic acids; microbiocides for Grampositive infections and drug resistance bacteria GENESOFT PHARMACEUTICALS, INC. (US) 2006-12-21 US disclosed
US-7122626-B2 Halogen-substitued thienyl compounds GENESOFT PHARMCEUTICALS, INC. (US) 2006-10-17 US disclosed
US-20030130198-A1 Halogen-substitued thienyl compounds GENESOFT, INC. (US) 2003-07-10 US disclosed
WO-2002088119-A1 HALOGEN-SUBSTITUTED THIENYL COMPOUNDS GENESOFT PHARMACEUTICALS, INC (US) 2002-11-07 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 (4 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-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals IRF3, BCL3, L3MBTL3 P2RY14 4173/4885CA12 4190/4885CA1 4663/4885
US-20060287247-A1 Binds nucleic acids; microbiocides for Grampositive infections and drug resistance bacteria CNBP, TLR9, DDB1 P2RY14 2485/4885CA12 4618/4885CA1 4821/4885
US-20030130198-A1 Halogen-substitued thienyl compounds TOP1, TPR, PCNA P2RY14 3881/4885CA12 4661/4885CA1 4835/4885
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS CASP3, BCL3, ME3 P2RY14 2853/4885CA12 2623/4885CA1 4231/4885

“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.