SCHEMBL3390123

SCHEMBL3390123

N[C@@H](CCCCc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.66
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC7A5 Q01650 1/20 0.58
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
S1PR2 O95136 1/20 0.54
S1PR4 O95977 1/20 0.54
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
NOS1 P29475 2/20 0.54
LTA4H P09960 1/20 0.52
GSR P00390 1/20 0.52
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
TRPA1 O75762 1/20 0.51
KIF11 P52732 3/20 0.50

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
SCHEMBL28465699 1.00 GRIK1 (0.66) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL372365 1.00 GRIK1 (0.66) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL17686506 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL3664379 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL28469566 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL24816430 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL23176817 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL17686507 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL27330363 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL3664561 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
EP-1836159-B1 Antibiotic binaphthyl derivatives UNIV WOLLONGONG (AU) 2013-04-10 EP disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
EP-2199300-A2 Peptidic compounds The University Of Wollongong (AU) 2010-06-23 EP disclosed
EP-1836159-A4 PEPTIDIC COMPOUNDS UNIV WOLLONGONG (AU) 2009-02-25 EP disclosed
EP-1836159-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2007-09-26 EP disclosed
EP-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 EP disclosed
WO-2006074501-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2006-07-20 WO disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed
EP-1103560-A1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed
CN-1032308-C Process for preparing optically active 2-oxoimidazolidine derivatives TANABE SEIYAKU CO (JP) 1996-07-17 CN disclosed
CN-1043705-A The method for preparing opticity 2-oxo-imidazole alkane derivatives TANABE SEIYAKU CO (JP) 1990-07-11 CN 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-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN GRIK1 4636/4885ALPI 2406/4885PKM 1840/4885

“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.