SCHEMBL3489862

SCHEMBL3489862

CC(C)C[C@H](N)C(=O)N(C(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.47
RNPEP Q9H4A4 1/20 0.47
DNPEP Q9ULA0 1/20 0.47
SLC7A5 Q01650 2/20 0.42
LTA4H P09960 1/20 0.42
GPR88 Q9GZN0 1/20 0.41
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
REN P00797 3/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MAPK1 P28482 1/20 0.38
ACE P12821 1/20 0.37

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
SCHEMBL7269530 0.91 SLC7A5 (0.45) ANPEPRNPEPDNPEPSLC7A5LTA4H
SCHEMBL11047397 0.91 SLC7A5 (0.48) SLC7A5LTA4HALPIPKMPTGS1
SCHEMBL6830232 0.87 ANPEP (0.42) ANPEPRNPEPDNPEPSLC7A5LTA4H
SCHEMBL27809385 0.85 ANPEP (0.48) ANPEPRNPEPDNPEPSLC7A5LTA4H
SCHEMBL11651226 0.84 ATM (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9321962 0.84 ATM (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8392929 0.84 ATM (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL19974077 0.83 ANPEP (0.51) ANPEPRNPEPDNPEPSLC7A5LTA4H
SCHEMBL27468737 0.83 ANPEP (0.53) ANPEPRNPEPDNPEPSLC7A5LTA4H
SCHEMBL6548736 0.82 ITGA4 (0.44) SLC7A5ALPIPKMPTGS1XIAP

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-10059736-B2 Ionic liquid supported synthesis MCGILL UNIVERSITY (CA) 2018-08-28 US disclosed
US-20100041869-A1 IONIC LIQUID SUPPORTED SYNTHESIS MCGILL UNIVERSITY (CA) 2010-02-18 US disclosed
CN-101180307-A Ionic liquid supported synthesis UNIV MCGILL (CA) 2008-05-14 CN disclosed
EP-1861413-A1 IONIC LIQUID SUPPORTED SYNTHESIS McGILL UNIVERSITY (CA) 2007-12-05 EP disclosed
WO-2006096963-A1 IONIC LIQUID SUPPORTED SYNTHESIS MCGILL UNIVERSITY (CA) 2006-09-21 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-20100041869-A1 IONIC LIQUID SUPPORTED SYNTHESIS IGF2BP1, IGF2BP2, IGF2BP3 ANPEP 676/4885RNPEP 258/4885DNPEP 477/4885
US-10059736-B2 Ionic liquid supported synthesis IGF2BP1, IGF2BP2, IGF2BP3 ANPEP 676/4885RNPEP 258/4885DNPEP 477/4885

“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.