SCHEMBL1330132

SCHEMBL1330132

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCNCC(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.47
KLK5 Q9Y337 2/20 0.47
TLR2 O60603 1/20 0.45
TLR1 Q15399 1/20 0.45
MAPT P10636 1/20 0.44
PTPN1 P18031 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MDM2 Q00987 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
KMT2A Q03164 1/20 0.44
SIRT3 Q9NTG7 1/20 0.43

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
SCHEMBL29387849 0.92 KLK7 (0.54) KLK7KLK5TLR2TLR1MAPT
SCHEMBL24234614 0.92 KLK7 (0.51) KLK7KLK5TLR2TLR1MAPT
SCHEMBL23447622 0.91 KLK7 (0.54) KLK7KLK5TLR2TLR1MAPT
SCHEMBL23447632 0.91 KLK7 (0.52) KLK7KLK5TLR2TLR1MAPT
SCHEMBL9933450 0.90 KLK7 (0.53) KLK7KLK5TLR2TLR1MAPT
SCHEMBL18568079 0.90 KLK7 (0.53) KLK7KLK5TLR2TLR1MAPT
SCHEMBL24235733 0.90 PTPN1 (0.51) KLK7KLK5TLR2TLR1MAPT
SCHEMBL30781884 0.88 KLK7 (0.52) KLK7KLK5MAPTHDAC1HDAC2
SCHEMBL27213383 0.88 KLK7 (0.52) KLK7KLK5MAPTHDAC1HDAC2
SCHEMBL27230997 0.88 KLK7 (0.52) KLK7KLK5MAPTHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349241-B1 PHARMACEUTICAL COMPOSITIONS WITH ATTENUATED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2019-06-19 EP disclosed
US-9585963-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-9534014-B2 Pharmaceutical compositions with attenuated release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2017-01-03 US disclosed
US-20150297736-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof 3I, LP 2015-10-22 US disclosed
US-9040032-B2 Compositions comprising enzyme-cleavable opioid prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2015-05-26 US disclosed
US-20150031635-A1 Pharmaceutical Compositions with Attenuated Release of Phenolic Opioids 3I, LP 2015-01-29 US disclosed
US-8802681-B2 Pharmaceutical compositions with attenuated release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2014-08-12 US disclosed
US-20130210701-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof SIGNATURE THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20130210700-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Opioid Prodrugs and Inhibitors Thereof SIGNATURE THERAPEUTICS, INC. (US) 2013-08-15 US disclosed
US-20110281886-A1 Pharmaceutical Compositions with Attenuated Release of Phenolic Opioids 3I, LP 2011-11-17 US disclosed
WO-2011133178-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PHENOL-MODIFIED TAPENTADOL PRODRUG PHARMACOFORE, INC (US) 2011-10-27 WO disclosed
US-20110262359-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF SIGNATURE THERAPEUTICS, INC. 2011-10-27 US disclosed
US-20110262360-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Opioid Prodrugs and Inhibitors Thereof SIGNATURE THERAPEUTICS, INC. 2011-10-27 US disclosed
EP-2349241-A1 PHARMACEUTICAL COMPOSITIONS WITH ATTENUATED RELEASE OF PHENOLIC OPIOIDS Pharmacofore, Inc. (US) 2011-08-03 EP disclosed
WO-2010045599-A1 PHARMACEUTICAL COMPOSITIONS WITH ATTENUATED RELEASE OF PHENOLIC OPIOIDS PHARMACOFORE, INC. (US) 2010-04-22 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 (7 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-20150031635-A1 Pharmaceutical Compositions with Attenuated Release of Phenolic Opioids COMT, OPRM1, OPRK1 KLK7 1349/4885KLK5 972/4885TLR2 4377/4885
US-20130210701-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof ACHE, OPRM1, DNPEP KLK7 801/4885KLK5 831/4885TLR2 4725/4885
US-20110262360-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Opioid Prodrugs and Inhibitors Thereof COMT, OPRM1, DNPEP KLK7 1134/4885KLK5 974/4885TLR2 3444/4885
US-20110262359-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF PEPD, TMPRSS15, ADAM17 KLK7 895/4885KLK5 832/4885TLR2 4853/4885
US-20110281886-A1 Pharmaceutical Compositions with Attenuated Release of Phenolic Opioids COMT, OPRM1, OPRK1 KLK7 1349/4885KLK5 972/4885TLR2 4377/4885
US-20130210700-A1 Compositions Comprising Enzyme-Cleavable Phenol-Modified Opioid Prodrugs and Inhibitors Thereof COMT, OPRM1, DNPEP KLK7 1134/4885KLK5 974/4885TLR2 3444/4885
US-20150297736-A1 Compositions Comprising Enzyme-Cleavable Opioid Prodrugs and Inhibitors Thereof ACHE, OPRM1, DNPEP KLK7 801/4885KLK5 831/4885TLR2 4725/4885

“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.