SCHEMBL1509876

SCHEMBL1509876

CC(C)(C)OC(=O)CCCCCCC(=O)NCCOCCOCCNC(=O)CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.43
TLR1 Q15399 1/20 0.43
EPHX2 P34913 4/20 0.41
GLP1R P43220 8/20 0.39
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
FAAH O00519 2/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL1509850 1.00 TLR2 (0.43) TLR2TLR1EPHX2GLP1RRECQL
SCHEMBL3093395 0.95 TLR2 (0.45) TLR2TLR1EPHX2GLP1RRECQL
SCHEMBL1509997 0.95 TLR2 (0.45) TLR2TLR1EPHX2GLP1RRECQL
SCHEMBL1509858 0.93 EPHX2 (0.43) TLR2TLR1EPHX2GLP1RRECQL
SCHEMBL16538712 0.93 EPHX2 (0.43) TLR2TLR1EPHX2GLP1RRECQL
SCHEMBL1509898 0.93 EPHX2 (0.43) TLR2TLR1EPHX2GLP1RRECQL
SCHEMBL1509865 0.91 EPHX2 (0.43) TLR2TLR1EPHX2RECQLGAA
SCHEMBL1509891 0.91 EPHX2 (0.43) TLR2TLR1EPHX2RECQLGAA
SCHEMBL16538986 0.91 GLP1R (0.47) TLR2TLR1EPHX2GLP1RRECQL
SCHEMBL29975223 0.90 TLR2 (0.41) TLR2TLR1EPHX2GLP1RRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859493-B2 Insulin derivatives NOVO NORDISK A/S (DK) 2014-10-14 US disclosed
US-8859493-B2 Insulin derivatives NOVO NORDISK A/S (DK) 2014-10-14 US disclosed
EP-2292653-B1 Novel insulin derivatives NOVO NORDISK AS (DK) 2014-05-21 EP disclosed
EP-1846447-B1 INSULIN DERIVATIVES NOVO NORDISK AS (DK) 2013-08-21 EP disclosed
US-20120208749-A1 Insulin derivatives NOVO NORDISK A/S (DK) 2012-08-16 US disclosed
US-20120208749-A1 Insulin derivatives NOVO NORDISK A/S (DK) 2012-08-16 US disclosed
EP-2292653-A1 Novel insulin derivatives Novo Nordisk A/S (DK) 2011-03-09 EP disclosed
US-20100227796-A1 Insulin Derivatives NOVO NORDISK A/S (DK) 2010-09-09 US disclosed
US-20100227796-A1 Insulin Derivatives NOVO NORDISK A/S (DK) 2010-09-09 US disclosed
US-20080171695-A1 Acylated with polyethylene glycol, polypropylene glycol or polybutylene glycol in combination with a fatty diacid; improved bioavailability, first pass effect, solubility at physiological pH values and prolonged pharmacokinetics NOVO NORDISK A/S (DK) 2008-07-17 US disclosed
US-20080171695-A1 Acylated with polyethylene glycol, polypropylene glycol or polybutylene glycol in combination with a fatty diacid; improved bioavailability, first pass effect, solubility at physiological pH values and prolonged pharmacokinetics NOVO NORDISK A/S (DK) 2008-07-17 US disclosed
US-20080171695-A1 Acylated with polyethylene glycol, polypropylene glycol or polybutylene glycol in combination with a fatty diacid; improved bioavailability, first pass effect, solubility at physiological pH values and prolonged pharmacokinetics NOVO NORDISK A/S (DK) 2008-07-17 US disclosed
EP-1846447-A1 INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2007-10-24 EP disclosed
WO-2006082205-A1 INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2006-08-10 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 (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-20100227796-A1 Insulin Derivatives IAPP, INSR, GCG TLR2 2281/4885TLR1 2565/4885EPHX2 1255/4885
US-20120208749-A1 Insulin derivatives IAPP, INSR, GCG TLR2 2632/4885TLR1 2668/4885EPHX2 1446/4885
US-20080171695-A1 Acylated with polyethylene glycol, polypropylene glycol or polybutylene glycol in combination with a fatty diacid; improved bioavailability, first pass effect, solubility at physiological pH values and prolonged pharmacokinetics IAPP, FABP4, INSR TLR2 1097/4885TLR1 528/4885EPHX2 2749/4885

“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.