SCHEMBL2436027

SCHEMBL2436027

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC15A1 P46059 2/20 0.46
LTA4H P09960 1/20 0.44
CTSC P53634 1/20 0.43
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
CA2 P00918 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
SRR Q9GZT4 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL14095437 0.94 ALPI (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17874602 0.94 ALPI (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL12928633 0.94 ALPI (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1147651 0.91 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7019120 0.91 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL26359430 0.89 ALPI (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL15679078 0.89 ALPI (0.66) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL2929469 0.88 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
Tetraethylene Glycol SCHEMBL2929245 0.88 SLC7A5 (0.71) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2496771 0.87 ALPI (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023216533-A1 INDOLE ALKALOID, AND PREPARATION METHOD THEREFOR AND USE THEREOF 南京中医药大学 2023-11-16 WO disclosed
US-10421843-B2 Poly(ester amide) macromers and polymers thereof CORNELL UNIVERSITY (US) 2019-09-24 US disclosed
US-20130059998-A1 Poly(Ester Amide) Macromers and Polymers Thereof CORNELL UNIVERSITY 2013-03-07 US disclosed
WO-2011112700-A2 POLY(ESTER AMIDE) MACROMERS AND POLYMERS THEREOF CORNELL UNIVERSITY (US) 2011-09-15 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-20130059998-A1 Poly(Ester Amide) Macromers and Polymers Thereof PAM, PARG, MAX SLC7A5 712/4885ALPI 4541/4885PKM 492/4885

“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.