SCHEMBL20439438

SCHEMBL20439438

CC(=O)NC(C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.48
NMT2 O60551 1/20 0.47
NMT1 P30419 1/20 0.47
TFPI P10646 1/20 0.46
SIRT5 Q9NXA8 3/20 0.46
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
IL23R Q5VWK5 4/20 0.43
NPY4R P50391 4/20 0.42
NPY1R P25929 3/20 0.42
NPY2R P49146 3/20 0.42
NPY5R Q15761 3/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
FURIN P09958 2/20 0.42
PCSK6 P29122 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
HPN P05981 1/20 0.40
HGFAC Q04756 1/20 0.40

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
SCHEMBL16189767 1.00 TLR2 (0.48) TLR2NMT2NMT1TFPISIRT5
SCHEMBL20439410 0.99 TLR2 (0.49) TLR2NMT2NMT1TFPISIRT5
SCHEMBL20439464 0.95 SIRT5 (0.51) TLR2NMT2NMT1TFPISIRT5
Cn-105 SCHEMBL20439448 0.95 SIRT5 (0.47) TLR2NMT2NMT1TFPISIRT5
Cn-105 SCHEMBL16189774 0.95 SIRT5 (0.47) TLR2NMT2NMT1TFPISIRT5
SCHEMBL16189768 0.93 NMT2 (0.46) TLR2NMT2NMT1TFPISIRT5
SCHEMBL20439451 0.92 SIRT6 (0.46) TLR2NMT2NMT1TFPISIRT5
SCHEMBL20439409 0.92 NMT1 (0.48) TLR2NMT2NMT1TFPISIRT5
SCHEMBL19558265 0.88 FURIN (0.55) TFPISIRT5SIRT6SIRT1NPY4R
SCHEMBL15896438 0.88 FURIN (0.55) TFPISIRT5SIRT6SIRT1NPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136371-B2 Peptide compounds for suppressing inflammation DUKE UNIVERSITY (US) 2021-10-05 US disclosed
US-20190194296-A1 PEPTIDE COMPOUNDS FOR SUPPRESSING INFLAMMATION UNIV DUKE (US) 2019-06-27 US disclosed
WO-2018140563-A1 USE OF APOE MIMETIC PEPTIDES FOR REDUCING THE LIKELIHOOD OF EPILEPTOGENESIS DUKE UNIVERSITY (US) 2018-08-02 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-11136371-B2 Peptide compounds for suppressing inflammation APOB, IAPP, CCL2 TLR2 305/4885NMT2 1841/4885NMT1 2064/4885
US-20190194296-A1 PEPTIDE COMPOUNDS FOR SUPPRESSING INFLAMMATION APOB, IAPP, CCL2 TLR2 305/4885NMT2 1841/4885NMT1 2064/4885

“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.