SCHEMBL463738

SCHEMBL463738

COC(=O)CCC(NC(=O)C(N)CCCCN)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.47
▸ LNPEP Q9UIQ6 6/20 0.47
▸ ERAP1 Q9NZ08 3/20 0.46
▸ DPP8 Q6V1X1 2/20 0.46
▸ DPP9 Q86TI2 2/20 0.46
▸ DPP7 Q9UHL4 2/20 0.46
▸ GNAI3 P08754 1/20 0.43
▸ GNAO1 P09471 1/20 0.43
▸ GNAI1 P63096 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ GSR P00390 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 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
SCHEMBL13561938 1.00 ERAP2 (0.47) ERAP2LNPEPERAP1DPP8DPP9
SCHEMBL13496274 0.90 ERAP2 (0.54) ERAP2LNPEPERAP1DPP8DPP9
SCHEMBL2734207 0.87 ERAP2 (0.52) ERAP2LNPEPERAP1DPP8DPP9
SCHEMBL13561939 0.84 CA12 (0.40) ERAP2LNPEPERAP1DPP8DPP9
SCHEMBL411635 0.84 KMT2A (0.58) ERAP2LNPEPERAP1DPP8DPP9
SCHEMBL13079511 0.84 GNAI3 (0.54) ERAP2LNPEPERAP1DPP7GNAI3
SCHEMBL24198900 0.83 FOLH1 (0.51) ERAP2LNPEPERAP1DPP8DPP9
SCHEMBL21454270 0.83 FOLH1 (0.51) ERAP2LNPEPERAP1DPP8DPP9
SCHEMBL31735185 0.83 FOLH1 (0.51) ERAP2LNPEPERAP1DPP8DPP9
SCHEMBL11982689 0.83 DPP4 (0.50) ERAP2DPP8DPP9CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871252-B2 pH-responsive liposome NANOTHETA CO, LTD. (JP) 2014-10-28 — — US disclosed
US-8338643-B2 Reagent for introduction of protein or gene WASEDA UNIVERSITY (JP) 2012-12-25 — — US disclosed
US-20120064148-A1 PH-RESPONSIVE LIPOSOME BIONANOSHEETER CO., LTD. (JP) 2012-03-15 — — US disclosed
US-20100291672-A1 REAGENT FOR INTRODUCTION OF PROTEIN OR GENE WASEDA UNIVERSITY (JP) 2010-11-18 — — US 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-20120064148-A1 PH-RESPONSIVE LIPOSOME LIPA, SMPD3, SMPD1 ERAP2 1951/4885LNPEP 164/4885ERAP1 2219/4885
US-20100291672-A1 REAGENT FOR INTRODUCTION OF PROTEIN OR GENE C1S, SGMS1, CERT1 ERAP2 2020/4885LNPEP 204/4885ERAP1 552/4885

“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.

Send feedback