SCHEMBL2417030

SCHEMBL2417030

CCOP(=O)(CCOCCN)OCC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.48
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PLA2G2D Q9UNK4 1/20 0.31
HPRT1 P00492 1/20 0.30
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL161421 0.98 PPARD (0.47) PPARDTSHRTP53TDP1CYP3A4
SCHEMBL20990658 0.98 PPARD (0.47) PPARDTSHRTP53TDP1CYP3A4
SCHEMBL161533 0.98 PPARD (0.47) PPARDTSHRTP53TDP1CYP3A4
SCHEMBL4881306 0.87 PPARD (0.56) PPARDTSHRTP53TDP1CYP3A4
SCHEMBL4882046 0.87 PPARD (0.56) PPARDTSHRTP53TDP1CYP3A4
SCHEMBL23430674 0.83 PPARD (0.52) PPARDTSHRTP53TDP1CYP3A4
SCHEMBL23786286 0.83 PPARD (0.52) PPARDTSHRTP53TDP1CYP3A4
SCHEMBL4164665 0.82 PPARD (0.56) PPARDTSHRTP53TDP1MEN1
SCHEMBL3220479 0.81 PPARD (0.50) PPARDTSHRTP53TDP1CYP3A4
SCHEMBL479207 0.80 PPARD (0.58) PPARDTSHRTP53TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173212-B2 Supramolecular protein assemblies with advanced functions and synthesis thereof INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH (IN) 2021-11-16 US disclosed
US-20190134212-A1 SUPRAMOLECULAR PROTEIN ASSEMBLIES WITH ADVANCED FUNCTIONS AND SYNTHESIS THEREOF INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH (IN) 2019-05-09 US disclosed
US-9365506-B2 Compounds and compositions as TLR2 agonists NOVARTIS AG (CH) 2016-06-14 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
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-2549990-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2013-01-30 EP disclosed
WO-2011119759-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. IRM LLC (BM) 2011-09-29 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-20190134212-A1 SUPRAMOLECULAR PROTEIN ASSEMBLIES WITH ADVANCED FUNCTIONS AND SYNTHESIS THEREOF APC, CHLSN, MAX PPARD 4337/4885TSHR 3255/4885TP53 1025/4885
US-20140323390-A1 COMPOUNDS AND COMPOSITIONS AS TLR2 AGONISTS TLR2, TLR1, TLR3 PPARD 219/4885TSHR 1558/4885TP53 1009/4885
US-20130065861-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. TLR2, TLR4, TLR3 PPARD 192/4885TSHR 2475/4885TP53 1326/4885
US-11173212-B2 Supramolecular protein assemblies with advanced functions and synthesis thereof APC, CHLSN, MAX PPARD 4337/4885TSHR 3255/4885TP53 1025/4885

“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.