SCHEMBL626378

SCHEMBL626378

C=CCC1CCN(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.43
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ELANE P08246 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KDM1A O60341 1/20 0.35
CTSG P08311 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
STS P08842 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
SCHEMBL31293350 0.92 FAAH (0.42) FAAHPDE4APDE4BPDE4CPDE4D
SCHEMBL3733255 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL14932456 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL12341085 0.82 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL27901314 0.81 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL16419554 0.81 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL15578408 0.80 DDB1 (0.41) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL28101090 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL31293181 0.80 DDB1 (0.39) PDE4APDE4BPDE4CPDE4DDDB1
SCHEMBL1330416 0.80 DDB1 (0.39) PDE4APDE4BPDE4CPDE4DDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169240-B2 Ketone linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-9169240-B2 Ketone linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
US-8242285-B2 N-tert-butoxycarbonyl-2-pyrrolidinones and production method thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
WO-2012021712-A1 TETRACYCLINE ANALOGS TETRAPHASE PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2012021712-A1 TETRACYCLINE ANALOGS TETRAPHASE PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 US disclosed
US-20090163722-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-25 US disclosed
CN-101415676-A N-tert-butoxycarbonyl-2-pyrrolidinone compounds and method for producing the same SUMITOMO CHEMICAL CO (JP) 2009-04-22 CN disclosed
EP-2008999-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-12-31 EP 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 (3 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-20090163722-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF TERT, CBR1, TELO2 FAAH 2851/4885PDE4A 4686/4885PDE4B 4683/4885
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof TERT, CBR1, TELO2 FAAH 2851/4885PDE4A 4686/4885PDE4B 4683/4885
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE FAAH 176/4885PDE4A 961/4885PDE4B 899/4885

“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.