SCHEMBL2453440

SCHEMBL2453440

CCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C)OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 18/20 0.51
▸ TNF P01375 2/20 0.47

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
SCHEMBL2417308 1.00 TLR2 (0.51) TLR2TNF
SCHEMBL2424676 1.00 TLR2 (0.51) TLR2TNF
SCHEMBL173805 1.00 TLR2 (0.51) TLR2TNF
SCHEMBL15768591 1.00 TLR2 (0.51) TLR2TNF
SCHEMBL15768659 1.00 TLR2 (0.51) TLR2TNF
SCHEMBL14762537 0.94 TLR2 (0.55) TLR2TNF
SCHEMBL14762587 0.91 TLR2 (0.56) TLR2TNF
SCHEMBL2453889 0.91 TLR2 (0.56) TLR2TNF
SCHEMBL2451299 0.91 TLR2 (0.56) TLR2TNF
SCHEMBL2418982 0.91 TLR2 (0.56) TLR2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 TLR2 1/4885TNF 1074/4885
US-20130065861-A1 COMPOUNDS (CYSTEIN BASED LIPOPEPTIDES) AND COMPOSITIONS AS TLR2 AGONISTS USED FOR TREATING INFECTIONS, INFLAMMATIONS, RESPIRATORY DISEASES ETC. TLR2, TLR4, TLR3 TLR2 1/4885TNF 1008/4885

“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.

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