SCHEMBL9706024

SCHEMBL9706024

COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.60
KLK5 Q9Y337 2/20 0.60
MAPT P10636 2/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.55
SIRT1 Q96EB6 1/20 0.55
SIRT3 Q9NTG7 1/20 0.55
FOLH1 Q04609 2/20 0.53
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
SYK P43405 1/20 0.51
PAX8 Q06710 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL439919 0.95 KLK7 (0.61) KLK7KLK5MAPTCA1CA2
SCHEMBL439918 0.95 KLK7 (0.61) KLK7KLK5MAPTCA1CA2
SCHEMBL29460388 0.95 KLK7 (0.61) KLK7KLK5MAPTFOLH1ITGB3
SCHEMBL440526 0.93 KLK7 (0.59) KLK7KLK5MAPTCA1CA2
SCHEMBL440527 0.93 KLK7 (0.59) KLK7KLK5MAPTCA1CA2
SCHEMBL15966718 0.93 FOLH1 (0.62) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL9051618 0.93 FOLH1 (0.62) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL15966648 0.92 SIRT2 (0.59) KLK7KLK5MAPTCA1CA2
SCHEMBL19456560 0.92 KLK7 (0.62) KLK7KLK5MAPTCA1CA2
SCHEMBL15253875 0.92 KLK7 (0.60) KLK7KLK5MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458184-B2 Compositions of TLR7 and/or TLR8 agonists conjugated to lipids INVIVOGEN (FR) 2016-10-04 US disclosed
US-9295732-B2 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists INVIVOGEN (FR) 2016-03-29 US disclosed
US-20140242108-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists CAYLA (FR) 2014-08-28 US disclosed
EP-2769738-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists Invivogen (FR) 2014-08-27 EP disclosed
WO-1992012172-A1 AMIDES OF ANTIBIOTIC GE 2270 FACTORS GRUPPO LEPETIT S.P.A. (IT) 1992-07-23 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 (1 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-20140242108-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists TLR7, TLR8, TLR9 KLK7 1489/4885KLK5 3060/4885MAPT 4031/4885

“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.