SCHEMBL161749

SCHEMBL161749

CC(C)(C)OC(=O)C(CSC[C@H](O)CO)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
SLC17A5 Q9NRA2 1/20 0.47
MDM2 Q00987 1/20 0.44
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL14765032 1.00 MDM4 (0.47) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL161750 1.00 MDM4 (0.47) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL161752 1.00 MDM4 (0.47) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL161751 1.00 MDM4 (0.47) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL27018520 0.92 MDM4 (0.50) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL27018536 0.92 MDM4 (0.50) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL29746914 0.92 MDM4 (0.50) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL27018525 0.90 MDM4 (0.47) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL27018541 0.90 MDM4 (0.47) MDM4TP53SLC17A5MDM2CASP3
SCHEMBL29747280 0.90 MDM4 (0.47) MDM4TP53SLC17A5MDM2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10098949-B2 Adsorption of immunopotentiators to insoluble metal salts GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2018-10-16 US disclosed
US-20160213776-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-07-28 US disclosed
US-9365506-B2 Compounds and compositions as TLR2 agonists NOVARTIS AG (CH) 2016-06-14 US disclosed
US-9315530-B2 Adsorption of immunopotentiators to insoluble metal salts NOVARTIS AG (CH) 2016-04-19 US disclosed
US-20140323390-A1 COMPOUNDS AND COMPOSITIONS AS TLR2 AGONISTS IRM LLC (BM) 2014-10-30 US disclosed
US-8808703-B2 Compounds (cystein based lipopeptides) and compositions as TLR2 agonists used for treating infections, inflammations, respiratory diseases etc NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-08-19 US disclosed
EP-2719395-A1 Adsorption of immunopotentiators to insoluble metal salts Novartis AG (CH) 2014-04-16 EP disclosed
EP-2480253-B1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS NOVARTIS AG (CH) 2014-01-22 EP disclosed
US-20130274465-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS IRM LLC (BM) 2013-10-17 US disclosed
US-20130065861-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2013-03-14 US disclosed
EP-2480253-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS Novartis AG (CH) 2012-08-01 EP disclosed
US-20120177681-A1 Formulation of immunopotentiators GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2012-07-12 US disclosed
WO-2012031140-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS NOVARTIS AG (CH) 2012-03-08 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 (6 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-20140323390-A1 COMPOUNDS AND COMPOSITIONS AS TLR2 AGONISTS TLR2, TLR1, TLR3 MDM4 4594/4885TP53 1009/4885SLC17A5 2170/4885
US-20130065861-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. TLR2, TLR4, TLR3 MDM4 3173/4885TP53 1326/4885SLC17A5 2128/4885
US-20130274465-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS CD69, CD209, CD4 MDM4 319/4885TP53 191/4885SLC17A5 106/4885
US-10098949-B2 Adsorption of immunopotentiators to insoluble metal salts CD69, NFATC1, CD209 MDM4 336/4885TP53 169/4885SLC17A5 129/4885
US-20120177681-A1 Formulation of immunopotentiators CD69, CD4, ICOS MDM4 474/4885TP53 135/4885SLC17A5 83/4885
US-20160213776-A1 ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS CD69, CD209, CD4 MDM4 319/4885TP53 191/4885SLC17A5 106/4885

“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.