SCHEMBL5060967

SCHEMBL5060967

NCC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.68
PKM P14618 1/20 0.68
PTGS1 P23219 1/20 0.68
XIAP P98170 1/20 0.68
SLC7A5 Q01650 1/20 0.68
SLC15A1 P46059 2/20 0.68
LTA4H P09960 1/20 0.64
SLC1A3 P43003 2/20 0.53
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
MMP2 P08253 1/20 0.53
HDAC8 Q9BY41 2/20 0.51
EPHX1 P07099 1/20 0.50
CYP1A2 P05177 1/20 0.50
CTSC P53634 1/20 0.49
ANPEP P15144 1/20 0.48
LAP3 P28838 1/20 0.48

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
SCHEMBL28110902 1.00 ALPI (0.68) ALPIPKMPTGS1XIAPSLC7A5
Trifluoroacetic Acid SCHEMBL4849158 0.91 SLC15A1 (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12907015 0.87 SLC15A1 (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12323250 0.84 SLC7A5 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL23762564 0.82 SLC15A1 (0.66) ALPIPKMPTGS1XIAPSLC7A5
D-Phenylalanine SCHEMBL1537448 0.82 SLC7A5 (0.85) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL997986 0.82 SLC15A1 (0.66) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL21816915 0.82 SLC7A5 (0.85) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL1637917 0.82 SLC7A5 (0.85) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL10582687 0.82 SLC15A1 (0.71) ALPIPKMPTGS1XIAPSLC7A5

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
EP-2460814-A1 PEPTIDIC COMPOUND AND USE OF SAME Keio University (JP) 2012-06-06 EP disclosed
US-20120122797-A1 PEPTIDIC COMPOUND AND USE OF SAME KEIO UNIVERSITY (JP) 2012-05-17 US disclosed
US-20080019913-A1 ENKEPAHLIN ANALOGS WITH IMPROVED BIOAVAILABILITY UNIVERSITY OF ARIZONA OFFICE OF TECHNOLOGY TRANSFER (US) 2008-01-24 US disclosed
EP-1223945-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-07-24 EP disclosed
WO-2001026661-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-04-19 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-20080019913-A1 ENKEPAHLIN ANALOGS WITH IMPROVED BIOAVAILABILITY VIP, MME, ELAVL1 ALPI 2288/4885PKM 2496/4885PTGS1 1845/4885
US-20120122797-A1 PEPTIDIC COMPOUND AND USE OF SAME ASNS, ANPEP, NGLY1 ALPI 4578/4885PKM 2264/4885PTGS1 3418/4885

“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.